 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Chair_STD_M11-augccpVDZr.in
 Output=18_methylcyclopentanone_Chair_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/18_methylcyclopentanone_Chair_STD/Gau-24192.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/18_methylcyclopentanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24193.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Chair_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:54:45 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.561346000000      1.265532000000      0.172998000000
  C                                                 1.075011000000     -0.082384000000     -0.372450000000
  C                                                -0.949016000000      1.226539000000     -0.069358000000
  C                                                -1.318654000000     -0.252798000000      0.015396000000
  C                                                -0.029451000000     -1.065890000000      0.032823000000
  H                                                -1.198655000000      1.562128000000     -1.081455000000
  H                                                -1.551039000000      1.816556000000      0.620921000000
  O                                                -2.436471000000     -0.697326000000      0.059393000000
  H                                                -0.115613000000     -1.955716000000     -0.590107000000
  H                                                 0.122949000000     -1.406004000000      1.064587000000
  H                                                 1.054617000000      2.117373000000     -0.295556000000
  H                                                 0.767800000000      1.319480000000      1.246510000000
  C                                                 2.468129000000     -0.457422000000      0.107541000000
  H                                                 1.085579000000     -0.017304000000     -1.466677000000
  H                                                 2.491050000000     -0.538135000000      1.197571000000
  H                                                 3.202798000000      0.295018000000     -0.187539000000
  H                                                 2.788086000000     -1.416262000000     -0.305093000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 19:54:45 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457422    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538135    1.197571
     16          1           0        3.202798    0.295018   -0.187539
     17          1           0        2.788086   -1.416262   -0.305093
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.542155   0.000000
     3  C    1.530180   2.429368   0.000000
     4  C    2.421686   2.430864   1.527172   0.000000
     5  C    2.409195   1.533417   2.472099   1.524292   0.000000
     6  H    2.181565   2.894247   1.095116   2.124015   3.084661
     7  H    2.228549   3.389528   1.089512   2.168615   3.312036
     8  O    3.585056   3.590981   2.435232   1.203767   2.435219
     9  H    3.378911   2.230321   3.330539   2.171145   1.089613
    10  H    2.850303   2.173354   3.060265   2.123418   1.097014
    11  H    1.090180   2.201195   2.204381   3.368504   3.378787
    12  H    1.094514   2.163477   2.165087   2.888077   2.792604
    13  C    2.570735   1.520468   3.813646   3.793427   2.571716
    14  H    2.146863   1.096212   2.763914   2.834137   2.142738
    15  H    2.833147   2.162832   4.068567   3.999100   2.826321
    16  H    2.837103   2.168894   4.256672   4.559036   3.513981
    17  H    3.518375   2.172186   4.583219   4.280383   2.859277
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.756984   0.000000
     8  O    2.817597   2.723767   0.000000
     9  H    3.713439   4.213914   2.718782   0.000000
    10  H    3.893834   3.658411   2.839590   1.759860   0.000000
    11  H    2.450137   2.778464   4.498468   4.248088   3.890010
    12  H    3.056999   2.452644   3.967884   3.857524   2.806634
    13  C    4.351735   4.646315   4.910700   3.067136   2.704739
    14  H    2.803699   3.830517   3.898225   2.443088   3.043426
    15  H    4.818608   4.713340   5.059768   3.464105   2.525625
    16  H    4.666631   5.056447   5.731237   4.029853   3.734537
    17  H    5.036631   5.489683   5.286371   2.967105   2.996512
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.759791   0.000000
    13  C    2.964806   2.710304   0.000000
    14  H    2.435021   3.041276   2.140867   0.000000
    15  H    3.368158   2.534308   1.093254   3.056932   0.000000
    16  H    2.819100   3.005867   1.092235   2.493262   1.766142
    17  H    3.935935   3.738089   1.091794   2.490962   1.765598
                   16         17
    16  H    0.000000
    17  H    1.764733   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457421    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538134    1.197571
     16          1           0        3.202798    0.295019   -0.187539
     17          1           0        2.788086   -1.416261   -0.305093
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.4414929           1.9527670           1.5305717
 Leave Link  202 at Thu Jul  8 19:54:45 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      9     10     11     12     14     15     16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 276 were deleted.
 There are   265 symmetry adapted cartesian basis functions of A   symmetry.
 There are   251 symmetry adapted basis functions of A   symmetry.
   251 basis functions,   449 primitive gaussians,   265 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       306.1006696928 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 19:54:48 2021, MaxMem= 10737418240 cpu:              34.5 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   251 RedAO= T EigKep=  1.09D-05  NBF=   251
 NBsUse=   251 1.00D-06 EigRej= -1.00D+00 NBFU=   251
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   265   265   265   265   265 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jul  8 19:54:49 2021, MaxMem= 10737418240 cpu:               6.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:54:49 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:54:50 2021, MaxMem= 10737418240 cpu:               4.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737270897 LenY= 10737200231
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.725474872037    
 DIIS: error= 2.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.725474872037     IErMin= 1 ErrMin= 2.53D-03
 ErrMax= 2.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.05D-03 BMatP= 8.05D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.412 Goal=   None    Shift=    0.000
 GapD=    0.412 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.22D-02 MaxDP=8.37D-01              OVMax= 1.82D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.19D-02    CP:  1.10D+00
 E= -309.733478010831     Delta-E=       -0.008003138794 Rises=F Damp=F
 DIIS: error= 1.35D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.733478010831     IErMin= 2 ErrMin= 1.35D-03
 ErrMax= 1.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-04 BMatP= 8.05D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.35D-02
 Coeff-Com:  0.253D-01 0.975D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.249D-01 0.975D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.32D-03 MaxDP=1.51D-01 DE=-8.00D-03 OVMax= 9.39D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.21D-03    CP:  1.12D+00  1.16D+00
 E= -309.733540553066     Delta-E=       -0.000062542235 Rises=F Damp=F
 DIIS: error= 1.48D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -309.733540553066     IErMin= 2 ErrMin= 1.35D-03
 ErrMax= 1.48D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.33D-04 BMatP= 4.91D-04
 IDIUse=3 WtCom= 2.07D-01 WtEn= 7.93D-01
 Coeff-Com: -0.522D-01 0.555D+00 0.497D+00
 Coeff-En:   0.000D+00 0.457D+00 0.543D+00
 Coeff:     -0.108D-01 0.477D+00 0.534D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=3.28D-04 MaxDP=1.53D-02 DE=-6.25D-05 OVMax= 6.37D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.95D-04    CP:  1.13D+00  1.18D+00  1.10D+00
 E= -309.733956680962     Delta-E=       -0.000416127896 Rises=F Damp=F
 DIIS: error= 3.78D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.733956680962     IErMin= 4 ErrMin= 3.78D-04
 ErrMax= 3.78D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.74D-05 BMatP= 4.91D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.78D-03
 Coeff-Com: -0.633D-02-0.562D-01 0.170D+00 0.892D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.631D-02-0.560D-01 0.170D+00 0.893D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=2.68D-04 MaxDP=1.47D-02 DE=-4.16D-04 OVMax= 1.31D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.36D-05    CP:  1.13D+00  1.19D+00  1.27D+00  1.12D+00
 E= -309.733986326803     Delta-E=       -0.000029645840 Rises=F Damp=F
 DIIS: error= 4.47D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.733986326803     IErMin= 5 ErrMin= 4.47D-05
 ErrMax= 4.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.37D-07 BMatP= 3.74D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-02-0.646D-01 0.142D-01 0.301D+00 0.747D+00
 Coeff:      0.225D-02-0.646D-01 0.142D-01 0.301D+00 0.747D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=4.61D-05 MaxDP=2.34D-03 DE=-2.96D-05 OVMax= 2.73D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.15D-05    CP:  1.13D+00  1.19D+00  1.30D+00  1.17D+00  1.21D+00
 E= -309.733987266393     Delta-E=       -0.000000939590 Rises=F Damp=F
 DIIS: error= 7.55D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.733987266393     IErMin= 6 ErrMin= 7.55D-06
 ErrMax= 7.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-08 BMatP= 8.37D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.628D-03-0.210D-02-0.105D-01-0.289D-01 0.841D-01 0.957D+00
 Coeff:      0.628D-03-0.210D-02-0.105D-01-0.289D-01 0.841D-01 0.957D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=1.01D-05 MaxDP=5.68D-04 DE=-9.40D-07 OVMax= 6.08D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.08D-06    CP:  1.13D+00  1.19D+00  1.30D+00  1.18D+00  1.28D+00
                    CP:  1.12D+00
 E= -309.733987308036     Delta-E=       -0.000000041643 Rises=F Damp=F
 DIIS: error= 1.92D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.733987308036     IErMin= 7 ErrMin= 1.92D-06
 ErrMax= 1.92D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-09 BMatP= 2.27D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.944D-05 0.286D-02-0.267D-02-0.214D-01-0.248D-01 0.170D+00
 Coeff-Com:  0.876D+00
 Coeff:     -0.944D-05 0.286D-02-0.267D-02-0.214D-01-0.248D-01 0.170D+00
 Coeff:      0.876D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=2.56D-06 MaxDP=2.19D-04 DE=-4.16D-08 OVMax= 1.92D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.01D-06    CP:  1.13D+00  1.19D+00  1.30D+00  1.18D+00  1.30D+00
                    CP:  1.16D+00  1.14D+00
 E= -309.733987311019     Delta-E=       -0.000000002983 Rises=F Damp=F
 DIIS: error= 7.59D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.733987311019     IErMin= 8 ErrMin= 7.59D-07
 ErrMax= 7.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.88D-10 BMatP= 1.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.646D-04 0.110D-02 0.335D-03-0.368D-02-0.170D-01-0.488D-01
 Coeff-Com:  0.266D+00 0.802D+00
 Coeff:     -0.646D-04 0.110D-02 0.335D-03-0.368D-02-0.170D-01-0.488D-01
 Coeff:      0.266D+00 0.802D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=6.13D-07 MaxDP=1.84D-05 DE=-2.98D-09 OVMax= 8.57D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.34D-07    CP:  1.13D+00  1.19D+00  1.30D+00  1.18D+00  1.30D+00
                    CP:  1.16D+00  1.22D+00  1.22D+00
 E= -309.733987311434     Delta-E=       -0.000000000414 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.733987311434     IErMin= 9 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-11 BMatP= 2.88D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.652D-05-0.907D-04 0.251D-03 0.114D-02 0.167D-03-0.146D-01
 Coeff-Com: -0.382D-01 0.516D-01 0.100D+01
 Coeff:     -0.652D-05-0.907D-04 0.251D-03 0.114D-02 0.167D-03-0.146D-01
 Coeff:     -0.382D-01 0.516D-01 0.100D+01
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=2.05D-07 MaxDP=9.15D-06 DE=-4.14D-10 OVMax= 4.85D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.19D-07    CP:  1.13D+00  1.19D+00  1.30D+00  1.18D+00  1.30D+00
                    CP:  1.16D+00  1.23D+00  1.33D+00  1.20D+00
 E= -309.733987311484     Delta-E=       -0.000000000050 Rises=F Damp=F
 DIIS: error= 5.76D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.733987311484     IErMin=10 ErrMin= 5.76D-08
 ErrMax= 5.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-12 BMatP= 1.24D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.498D-05-0.114D-03 0.248D-05 0.496D-03 0.154D-02 0.237D-02
 Coeff-Com: -0.295D-01-0.663D-01 0.132D+00 0.959D+00
 Coeff:      0.498D-05-0.114D-03 0.248D-05 0.496D-03 0.154D-02 0.237D-02
 Coeff:     -0.295D-01-0.663D-01 0.132D+00 0.959D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=4.56D-08 MaxDP=1.69D-06 DE=-5.02D-11 OVMax= 2.76D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.96D-08    CP:  1.13D+00  1.19D+00  1.30D+00  1.18D+00  1.30D+00
                    CP:  1.16D+00  1.23D+00  1.35D+00  1.26D+00  1.17D+00
 E= -309.733987311490     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 3.92D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -309.733987311490     IErMin=11 ErrMin= 3.92D-08
 ErrMax= 3.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-13 BMatP= 2.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-05 0.217D-04-0.524D-04-0.232D-03-0.468D-04 0.281D-02
 Coeff-Com:  0.802D-02-0.907D-02-0.204D+00 0.116D-01 0.119D+01
 Coeff:      0.105D-05 0.217D-04-0.524D-04-0.232D-03-0.468D-04 0.281D-02
 Coeff:      0.802D-02-0.907D-02-0.204D+00 0.116D-01 0.119D+01
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=3.04D-08 MaxDP=2.33D-06 DE=-6.59D-12 OVMax= 2.15D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.59D-08    CP:  1.13D+00  1.19D+00  1.30D+00  1.18D+00  1.30D+00
                    CP:  1.16D+00  1.23D+00  1.35D+00  1.27D+00  1.33D+00
                    CP:  1.46D+00
 E= -309.733987311491     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.62D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -309.733987311491     IErMin=12 ErrMin= 1.62D-08
 ErrMax= 1.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.98D-14 BMatP= 5.37D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-05 0.282D-04-0.405D-05-0.132D-03-0.361D-03-0.367D-03
 Coeff-Com:  0.764D-02 0.149D-01-0.475D-01-0.227D+00 0.887D-01 0.116D+01
 Coeff:     -0.109D-05 0.282D-04-0.405D-05-0.132D-03-0.361D-03-0.367D-03
 Coeff:      0.764D-02 0.149D-01-0.475D-01-0.227D+00 0.887D-01 0.116D+01
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=1.38D-08 MaxDP=7.11D-07 DE=-5.68D-13 OVMax= 1.12D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.01D-09    CP:  1.13D+00  1.19D+00  1.30D+00  1.18D+00  1.30D+00
                    CP:  1.16D+00  1.23D+00  1.35D+00  1.26D+00  1.34D+00
                    CP:  1.76D+00  1.42D+00
 E= -309.733987311493     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 3.04D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -309.733987311493     IErMin=13 ErrMin= 3.04D-09
 ErrMax= 3.04D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-15 BMatP= 8.98D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-06 0.986D-07 0.574D-05 0.106D-04-0.370D-04-0.372D-03
 Coeff-Com: -0.385D-04 0.253D-02 0.192D-01-0.261D-01-0.122D+00 0.127D+00
 Coeff-Com:  0.100D+01
 Coeff:     -0.193D-06 0.986D-07 0.574D-05 0.106D-04-0.370D-04-0.372D-03
 Coeff:     -0.385D-04 0.253D-02 0.192D-01-0.261D-01-0.122D+00 0.127D+00
 Coeff:      0.100D+01
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=4.79D-09 MaxDP=4.67D-07 DE=-2.39D-12 OVMax= 2.13D-07

 SCF Done:  E(RM11) =  -309.733987311     A.U. after   13 cycles
            NFock= 13  Conv=0.48D-08     -V/T= 2.0069
 KE= 3.076185026991D+02 PE=-1.332230512289D+03 EE= 4.087773525858D+02
 Leave Link  502 at Thu Jul  8 19:56:26 2021, MaxMem= 10737418240 cpu:            1525.1 elap:              95.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   251
 NBasis=   251 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    251 NOA=    27 NOB=    27 NVA=   224 NVB=   224

 **** Warning!!: The largest alpha MO coefficient is  0.98287821D+02

 Leave Link  801 at Thu Jul  8 19:56:27 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5263 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.01D-13 8.33D-09 XBig12= 1.00D+00 2.02D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.01D-13 8.33D-09 XBig12= 1.25D-01 9.45D-02.
     11 vectors produced by pass  2 Test12= 1.01D-13 8.33D-09 XBig12= 1.64D-02 3.14D-02.
     11 vectors produced by pass  3 Test12= 1.01D-13 8.33D-09 XBig12= 1.30D-03 8.83D-03.
     11 vectors produced by pass  4 Test12= 1.01D-13 8.33D-09 XBig12= 6.32D-05 1.55D-03.
     11 vectors produced by pass  5 Test12= 1.01D-13 8.33D-09 XBig12= 1.68D-06 1.94D-04.
     11 vectors produced by pass  6 Test12= 1.01D-13 8.33D-09 XBig12= 5.32D-08 3.57D-05.
     11 vectors produced by pass  7 Test12= 1.01D-13 8.33D-09 XBig12= 1.22D-09 5.32D-06.
     11 vectors produced by pass  8 Test12= 1.01D-13 8.33D-09 XBig12= 2.33D-11 7.12D-07.
      9 vectors produced by pass  9 Test12= 1.01D-13 8.33D-09 XBig12= 3.39D-13 7.93D-08.
      2 vectors produced by pass 10 Test12= 1.01D-13 8.33D-09 XBig12= 4.22D-15 9.08D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.881455D+02
      2  0.180692D+00  0.765071D+02
      3  0.334910D+00 -0.486096D+00  0.626458D+02
 Isotropic polarizability for W=    0.093368       75.77 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.347220D+02 -0.208129D+02 -0.538311D+00
      2  -0.183776D+02  0.196259D+02 -0.500595D+01
      3  -0.163444D+02  0.118702D+01  0.554426D+01
      4  -0.948442D+01  0.295248D+02  0.178212D+01
      5   0.353489D+01  0.105043D+00  0.481674D+02
      6  -0.117035D+01 -0.382826D+01  0.105238D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.217968D+01 -0.843858D+00 -0.456387D+01
      2   0.532243D+00  0.289306D+00  0.219466D+02
      3   0.685920D+01 -0.148521D+02 -0.649092D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.167707D+01  0.117768D+01 -0.933682D+01
      2  -0.407320D+01  0.295246D+01  0.645118D+02
      3   0.113285D+02 -0.479025D+02 -0.127539D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.599161D+00 -0.284036D+00 -0.324880D+00
      2  -0.284036D+00 -0.676272D+00  0.302548D+00
      3  -0.324880D+00  0.302548D+00 -0.126404D+01
 OR G Eigenvalues:    -1.4445    -0.9241    -0.1709  Iso=     0.8465
 Eigenvectors:
   (1)   0.266541  -0.266264   0.926315
   (2)   0.669678   0.742363   0.020693
   (3)   0.693172  -0.614817  -0.376181
 w=    0.093368 a.u., Optical Rotation Beta=      0.8465 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =      486.14 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   31626 ScalPx= 7.64D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.84D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.68D-14 2.78D-09 XBig12= 1.00D+00 4.83D-01.
     30 vectors produced by pass  1 Test12= 1.68D-14 2.78D-09 XBig12= 1.57D-02 2.40D-02.
     30 vectors produced by pass  2 Test12= 1.68D-14 2.78D-09 XBig12= 1.24D-03 7.82D-03.
     30 vectors produced by pass  3 Test12= 1.68D-14 2.78D-09 XBig12= 2.76D-05 1.24D-03.
     30 vectors produced by pass  4 Test12= 1.68D-14 2.78D-09 XBig12= 3.21D-07 7.34D-05.
     30 vectors produced by pass  5 Test12= 1.68D-14 2.78D-09 XBig12= 3.35D-09 5.99D-06.
     30 vectors produced by pass  6 Test12= 1.68D-14 2.78D-09 XBig12= 3.02D-11 5.08D-07.
     30 vectors produced by pass  7 Test12= 1.68D-14 2.78D-09 XBig12= 2.52D-13 4.80D-08.
      1 vectors produced by pass  8 Test12= 1.68D-14 2.78D-09 XBig12= 1.98D-15 5.59D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.75D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.75D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.881455D+02  0.180692D+00  0.334910D+00
      2   0.180692D+00  0.765071D+02 -0.486096D+00
      3   0.334910D+00 -0.486096D+00  0.626458D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.217968D+01 -0.843858D+00 -0.456387D+01
      2   0.532243D+00  0.289306D+00  0.219466D+02
      3   0.685920D+01 -0.148521D+02 -0.649092D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.347220D+02 -0.208129D+02 -0.538311D+00
      2  -0.183776D+02  0.196259D+02 -0.500595D+01
      3  -0.163444D+02  0.118702D+01  0.554426D+01
      4  -0.948442D+01  0.295248D+02  0.178212D+01
      5   0.353489D+01  0.105043D+00  0.481674D+02
      6  -0.117035D+01 -0.382826D+01  0.105238D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.266891D+01 -0.109376D+01  0.101450D+01 -0.125644D+00 -0.459435D+01
      2  -0.109376D+01 -0.367752D+01  0.118770D+00 -0.459435D+01 -0.675243D+00
      3   0.101450D+01  0.118770D+00 -0.187711D+01  0.258130D+00  0.253221D+01
                 6             7             8             9            10 
      1   0.258130D+00  0.163732D+01  0.457226D+00 -0.235660D+01 -0.127450D+01
      2   0.253221D+01  0.457226D+00  0.356747D+01 -0.107818D+01  0.254498D+01
      3  -0.565059D+00 -0.235660D+01 -0.107818D+01 -0.707079D+01 -0.129430D+01
                11            12            13            14            15 
      1   0.254498D+01 -0.129430D+01  0.241269D+01  0.320038D+01  0.326259D+00
      2   0.349137D+01  0.300272D+00  0.320038D+01 -0.300666D+01 -0.164215D+01
      3   0.300272D+00 -0.964603D-03  0.326259D+00 -0.164215D+01 -0.944133D+00
                16            17            18            19            20 
      1  -0.243486D+01  0.338017D+00  0.732765D+00 -0.137249D+01 -0.188561D+01
      2   0.338017D+00 -0.206047D+01 -0.989487D+00 -0.188561D+01  0.473788D+01
      3   0.732765D+00 -0.989487D+00  0.104373D+02 -0.116321D+01  0.511969D+00
                21            22            23            24            25 
      1  -0.116321D+01 -0.173389D+01  0.248154D+01  0.707766D+00 -0.121940D+01
      2   0.511969D+00  0.248154D+01  0.200973D+01 -0.837295D+00  0.156542D+01
      3   0.245604D+01  0.707766D+00 -0.837295D+00 -0.234922D+01  0.276630D+01
                26            27            28            29            30 
      1   0.156542D+01  0.276630D+01  0.394583D+01  0.515663D+01  0.128902D-01
      2  -0.201492D+00 -0.340986D+01  0.515663D+01 -0.456864D+01 -0.248480D+00
      3  -0.340986D+01  0.371317D+01  0.128902D-01 -0.248480D+00 -0.659053D+00
                31            32            33            34            35 
      1   0.320949D+01  0.214886D+00 -0.541144D+00  0.672853D+00 -0.877159D+00
      2   0.214886D+00 -0.354249D+01 -0.237838D+00 -0.877159D+00 -0.375729D+00
      3  -0.541144D+00 -0.237838D+00 -0.112052D+00 -0.170946D+00  0.725283D-01
                36            37            38            39            40 
      1  -0.170946D+00  0.608723D+00 -0.355074D+01  0.119388D+00 -0.250964D+01
      2   0.725283D-01 -0.355074D+01  0.165164D+01  0.578471D+00 -0.460622D+00
      3   0.199248D-01  0.119388D+00  0.578471D+00 -0.365786D+00  0.486708D+00
                41            42            43            44            45 
      1  -0.460622D+00  0.486708D+00 -0.831942D+00  0.137027D+01 -0.871459D+00
      2   0.521413D+01  0.177429D+01  0.137027D+01  0.260907D+01  0.365625D+01
      3   0.177429D+01  0.294797D+01 -0.871459D+00  0.365625D+01 -0.455169D+01
                46            47            48            49            50 
      1  -0.891792D+00  0.118531D+01 -0.141051D+01  0.821340D+00 -0.945783D+00
      2   0.118531D+01 -0.158123D+01  0.696545D+00 -0.945783D+00  0.208569D+01
      3  -0.141051D+01  0.696545D+00 -0.132202D+01  0.423806D+00 -0.169668D+01
                51            52            53            54            55 
      1   0.423806D+00 -0.225279D+01  0.643244D+00 -0.210129D+01 -0.396331D+01
      2  -0.169668D+01  0.643244D+00 -0.308327D+01  0.321996D+01  0.265790D+01
      3   0.187926D+01 -0.210129D+01  0.321996D+01 -0.658304D+01  0.176167D+01
                56            57            58            59            60 
      1   0.265790D+01  0.176167D+01  0.211650D+01 -0.224963D+01 -0.812795D+00
      2  -0.325646D+01 -0.106991D+01 -0.224963D+01  0.410096D+01  0.171077D+01
      3  -0.106991D+01 -0.149302D+01 -0.812795D+00  0.171077D+01  0.158202D+01
                61            62            63            64            65 
      1   0.268045D+01 -0.167046D+01 -0.197556D+01 -0.147278D+02 -0.452226D+01
      2  -0.167046D+01  0.270380D+01  0.252305D+01 -0.452226D+01 -0.718567D+00
      3  -0.197556D+01  0.252305D+01  0.228659D+01  0.388194D+00 -0.858539D-02
                66            67            68            69            70 
      1   0.388194D+00 -0.327508D+01 -0.435787D+01  0.126675D+00  0.173368D-01
      2  -0.858539D-02 -0.435787D+01 -0.254322D+01  0.122043D+00  0.248126D+00
      3  -0.134278D+01  0.126675D+00  0.122043D+00 -0.586704D+00 -0.370625D+01
                71            72            73            74            75 
      1   0.248126D+00 -0.370625D+01 -0.349487D+00 -0.923695D+00 -0.766483D+00
      2   0.158557D+00 -0.141489D+01 -0.923695D+00 -0.103649D+01 -0.319357D+00
      3  -0.141489D+01  0.303413D+00 -0.766483D+00 -0.319357D+00 -0.586434D-01
                76            77            78            79            80 
      1  -0.138308D+01 -0.145734D+00 -0.805996D-01 -0.926902D+00 -0.279860D+00
      2  -0.145734D+00 -0.785996D+01 -0.249076D+01 -0.279860D+00 -0.398141D+01
      3  -0.805996D-01 -0.249076D+01 -0.201903D+01  0.164508D+00 -0.276479D+01
                81            82            83            84            85 
      1   0.164508D+00  0.896801D+00 -0.141308D+00  0.115764D+01 -0.153348D+00
      2  -0.276479D+01 -0.141308D+00  0.123938D+00 -0.289175D+00  0.561264D+00
      3  -0.186714D+01  0.115764D+01 -0.289175D+00  0.832150D+00 -0.329842D+00
                86            87            88            89            90 
      1   0.561264D+00 -0.329842D+00  0.256543D+01 -0.576854D+00  0.840562D+00
      2  -0.251027D+01  0.160605D+01 -0.576854D+00  0.259888D+01 -0.313997D+01
      3   0.160605D+01 -0.166946D+01  0.840562D+00 -0.313997D+01  0.647196D+01
                91            92            93            94            95 
      1   0.263321D+01  0.256422D+01 -0.872536D+00  0.230921D+01  0.299001D+01
      2   0.256422D+01  0.336817D+01 -0.532988D+00  0.299001D+01  0.706408D+01
      3  -0.872536D+00 -0.532988D+00  0.897461D+00 -0.556474D+00 -0.164845D+01
                96            97            98            99           100 
      1  -0.556474D+00 -0.160699D+01 -0.105697D+01  0.117051D+01  0.474311D+00
      2  -0.164845D+01 -0.105697D+01 -0.287578D+01  0.172092D+01  0.369119D+00
      3   0.125841D+01  0.117051D+01  0.172092D+01 -0.582977D+00  0.127664D+01
               101           102           103           104           105 
      1   0.369119D+00  0.127664D+01  0.841012D-01  0.855107D+00  0.985114D-01
      2   0.700045D+00  0.374065D+00  0.855107D+00  0.731092D+00  0.936111D+00
      3   0.374065D+00  0.121580D+01  0.985114D-01  0.936111D+00  0.255788D+00
               106           107           108           109           110 
      1   0.209259D+01  0.111254D+00  0.175247D+01  0.748463D+00 -0.324874D+01
      2   0.111254D+00  0.150311D+01  0.195008D+01 -0.324874D+01 -0.383216D+01
      3   0.175247D+01  0.195008D+01  0.801609D+01  0.232754D+01 -0.191810D+00
               111           112           113           114           115 
      1   0.232754D+01 -0.349862D+01 -0.500394D+01 -0.198418D+00  0.303869D+01
      2  -0.191810D+00 -0.500394D+01  0.323927D+01  0.291559D+01 -0.383546D+00
      3  -0.546427D+00 -0.198418D+00  0.291559D+01  0.978627D+00 -0.147056D+01
               116           117           118           119           120 
      1  -0.383546D+00 -0.147056D+01  0.784159D+00 -0.285873D+00 -0.126769D+01
      2   0.294401D+01  0.124344D+01 -0.285873D+00 -0.254943D+00 -0.137841D-01
      3   0.124344D+01 -0.729411D+01 -0.126769D+01 -0.137841D-01  0.343766D+00
               121           122           123           124           125 
      1  -0.375985D+00 -0.252364D+00  0.207526D-02 -0.165867D+01 -0.896155D-02
      2  -0.252364D+00  0.469647D+00 -0.974377D+00 -0.896155D-02 -0.117055D+01
      3   0.207526D-02 -0.974377D+00  0.552106D+00  0.712830D+00  0.276885D+00
               126           127           128           129           130 
      1   0.712830D+00  0.235498D+00  0.180255D+00  0.881213D+00  0.192005D+00
      2   0.276885D+00  0.180255D+00  0.295856D+00 -0.311354D-01  0.860242D+00
      3  -0.102471D+02  0.881213D+00 -0.311354D-01  0.213660D+00 -0.111151D+00
               131           132           133           134           135 
      1   0.860242D+00 -0.111151D+00  0.244256D+01 -0.379632D+00  0.193312D+01
      2  -0.722401D+00  0.749329D+00 -0.379632D+00  0.115238D+01 -0.901837D+00
      3   0.749329D+00 -0.542408D+00  0.193312D+01 -0.901837D+00  0.808927D+01
               136           137           138           139           140 
      1   0.706232D+01  0.277578D+01 -0.122921D+01  0.510247D+01  0.310531D+01
      2   0.277578D+01  0.230782D+01 -0.451746D+00  0.310531D+01  0.287315D+01
      3  -0.122921D+01 -0.451746D+00  0.110634D+01 -0.545294D+00 -0.949847D+00
               141           142           143           144           145 
      1  -0.545294D+00 -0.226098D+01 -0.550050D+00  0.143599D+01  0.252114D+01
      2  -0.949847D+00 -0.550050D+00 -0.119858D+01  0.629310D+00 -0.178221D+01
      3   0.983590D+00  0.143599D+01  0.629310D+00 -0.344325D+00 -0.935738D+00
               146           147           148           149           150 
      1  -0.178221D+01 -0.935738D+00 -0.319253D+01  0.374155D+01  0.745787D+00
      2   0.224929D+01  0.576879D+00  0.374155D+01 -0.692752D+01 -0.186899D+01
      3   0.576879D+00  0.600588D+00  0.745787D+00 -0.186899D+01 -0.164970D+01
               151           152           153 
      1  -0.195470D+01  0.104994D+01  0.114360D+01
      2   0.104994D+01 -0.228999D+01 -0.159343D+01
      3   0.114360D+01 -0.159343D+01 -0.796542D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.219104D+01 -0.112050D+01  0.205486D+01  0.158236D+00 -0.572755D+01
      2   0.118158D+01  0.234821D+01  0.546271D+00  0.273589D+01  0.347367D+01
      3   0.106268D+02 -0.440010D+00  0.146666D+01  0.697248D+01 -0.631454D+01
                 6             7             8             9            10 
      1  -0.863792D+00  0.147319D+01  0.612944D+01  0.895407D+01  0.785625D+00
      2  -0.882715D+00 -0.629092D+01 -0.264694D+01 -0.403464D+01 -0.397383D+01
      3  -0.146099D+01  0.133559D+01 -0.278305D+01 -0.271766D+01 -0.596025D+01
                11            12            13            14            15 
      1  -0.564208D+00 -0.901177D-01 -0.246780D+01  0.693441D+00 -0.215046D+01
      2   0.131708D+01  0.260306D+01  0.327271D+00 -0.146850D+01 -0.869302D+00
      3  -0.977014D+01 -0.171345D+00 -0.262639D+01  0.397128D+01  0.305633D+01
                16            17            18            19            20 
      1   0.906967D+00  0.462542D+01  0.898073D+00  0.494332D+01 -0.192299D+01
      2  -0.553068D+01  0.551049D+00  0.112594D+02  0.245226D+01 -0.178408D+01
      3  -0.966498D+00  0.324628D+01  0.156186D+01 -0.107886D+02  0.298584D+01
                21            22            23            24            25 
      1  -0.530622D+01 -0.230141D+01  0.246271D+01 -0.168321D+01 -0.109896D+01
      2  -0.209404D+01 -0.239298D+01  0.164235D+01  0.409314D+01 -0.664073D+01
      3  -0.200189D+01  0.700601D+01  0.569461D+01  0.795307D+00 -0.178511D+01
                26            27            28            29            30 
      1   0.998837D+01 -0.613354D+01 -0.657759D+01 -0.540804D+00  0.147144D+01
      2   0.589906D+01 -0.487908D+01 -0.234972D+01 -0.163130D+01 -0.787345D+01
      3   0.238531D+01 -0.560696D+00  0.539332D+01 -0.644191D+01  0.424604D+00
                31            32            33            34            35 
      1  -0.246584D+01 -0.626874D+00  0.513548D+01 -0.659560D+01  0.268510D+02
      2  -0.928435D+00 -0.777149D+00 -0.139504D+01 -0.151462D+02  0.589488D+01
      3   0.295659D+01 -0.249864D+01 -0.214278D+00 -0.209448D+00 -0.995247D+00
                36            37            38            39            40 
      1  -0.627074D+00  0.122686D+01  0.216889D+01  0.134514D+01  0.288319D+01
      2   0.427957D+00  0.862483D-01  0.270670D+00  0.420038D+01 -0.370601D-01
      3  -0.241128D+00 -0.385035D+01  0.308097D+01 -0.217194D+00  0.935320D+01
                41            42            43            44            45 
      1   0.704148D+01  0.174375D+01 -0.505629D+01  0.731419D+01 -0.681428D+01
      2   0.386746D+00 -0.224574D+01 -0.527125D+01 -0.988539D+00 -0.170818D+00
      3   0.478416D+01 -0.202224D+01  0.106416D+01 -0.336178D+01  0.204270D+01
                46            47            48            49            50 
      1   0.122832D+01 -0.296527D+01  0.324967D+01 -0.267797D+01  0.650510D+00
      2   0.161542D+01 -0.110058D+01  0.307006D+01 -0.735785D+00  0.185670D+01
      3   0.861131D+00 -0.124527D+01 -0.103081D+01  0.181074D+01  0.370321D+00
                51            52            53            54            55 
      1  -0.332707D+01  0.355181D+01 -0.584414D+01  0.117553D+02 -0.255397D+01
      2  -0.237476D+01  0.518961D+00 -0.542199D+01  0.924441D+01 -0.194792D+01
      3  -0.986487D+00 -0.313301D+01 -0.306246D+01  0.547890D+00 -0.308430D+01
                56            57            58            59            60 
      1   0.472020D+01  0.355122D+01  0.310738D+01 -0.326969D+01 -0.404163D+01
      2   0.261110D+01  0.371891D+01  0.131330D+01 -0.320265D+01 -0.293839D+01
      3  -0.225804D+01  0.124010D+01  0.283808D+01  0.110999D+01  0.384091D+00
                61            62            63            64            65 
      1   0.392701D+01 -0.429691D+01 -0.484091D+01  0.347475D+01 -0.179367D+00
      2   0.156436D+01 -0.420058D+01 -0.387287D+01  0.646727D+00  0.238181D+00
      3   0.299240D+01  0.171686D+01 -0.222459D-01  0.142836D+01 -0.112724D+02
                66            67            68            69            70 
      1  -0.289605D+01  0.869051D+00  0.897135D+00 -0.383563D+01  0.269157D+01
      2   0.125625D+02  0.100171D+01  0.522448D+00  0.401929D+01  0.526165D+01
      3   0.166181D+00 -0.255902D+01 -0.667736D+01  0.338134D+00  0.118637D+01
                71            72            73            74            75 
      1  -0.688489D+01  0.677991D+00  0.104950D+01 -0.913044D+00 -0.470597D+00
      2  -0.127690D+01 -0.554799D+00  0.122275D+01 -0.536774D+00  0.541044D+00
      3   0.119282D+01 -0.803208D+00  0.715306D+00 -0.130529D+01  0.604799D+00
                76            77            78            79            80 
      1   0.146280D+01 -0.608944D+01 -0.576020D+01  0.663323D+00 -0.446741D+01
      2  -0.944783D-01 -0.842118D+00  0.199768D+00 -0.158628D+01 -0.288300D+00
      3   0.442037D+01 -0.265181D-01  0.177743D+00  0.254705D+01  0.297577D+00
                81            82            83            84            85 
      1  -0.406974D+01 -0.931122D+00  0.447094D-01  0.393735D+00  0.171266D-02
      2  -0.306463D-01 -0.252105D+01  0.240294D+00  0.520461D+00  0.306208D+00
      3  -0.364710D+00 -0.152663D+01 -0.160043D+01 -0.874609D+00  0.119467D+01
                86            87            88            89            90 
      1   0.259189D+01 -0.416373D+01  0.410645D+01 -0.501402D+01  0.116206D+02
      2   0.757714D-03  0.273999D+00 -0.174684D+01 -0.676225D+00 -0.267654D+00
      3  -0.820864D+00  0.665424D+00 -0.410615D+01  0.110869D+01 -0.164312D+01
                91            92            93            94            95 
      1   0.139713D+01  0.900760D+00 -0.222753D+01  0.119346D+01  0.277622D+01
      2  -0.961776D+00 -0.119208D+01  0.195808D+01 -0.101060D+01 -0.247783D+01
      3   0.325186D+01 -0.417515D+00 -0.100979D+01  0.459669D+01 -0.832095D+00
                96            97            98            99           100 
      1  -0.410113D+01 -0.160594D+01 -0.127949D+01  0.147850D+01 -0.147164D+01
      2   0.209235D+01  0.131947D+00  0.192883D+01 -0.132867D+01  0.380747D-01
      3   0.178255D+00 -0.271228D+01  0.135227D+01  0.650661D+00  0.271675D+00
               101           102           103           104           105 
      1   0.661677D+00 -0.188869D+01 -0.179332D-01 -0.116687D+01 -0.146995D+01
      2  -0.424498D-01  0.149901D+01 -0.101480D+00 -0.703964D-01  0.746318D-01
      3  -0.149871D+01  0.167381D+01  0.293934D+00  0.109964D+01 -0.391639D+00
               106           107           108           109           110 
      1  -0.272610D+01  0.566639D+00 -0.119356D+02 -0.296916D+00 -0.133273D+01
      2  -0.254967D+01  0.134570D+01  0.490330D+01  0.919474D+01 -0.526628D+00
      3   0.363880D+01 -0.149257D+01  0.169892D+01  0.989496D+01  0.114354D+02
               111           112           113           114           115 
      1  -0.218393D+00 -0.143910D+01  0.250435D+01 -0.467337D+00 -0.210723D+01
      2  -0.673121D+00 -0.382283D+00  0.895931D+01  0.258690D+01 -0.842632D+01
      3  -0.786987D+00  0.215107D+02 -0.770072D+01 -0.838818D+01 -0.336172D+00
               116           117           118           119           120 
      1   0.309218D+01 -0.345935D+01 -0.537313D-02  0.417341D+00  0.273346D+00
      2   0.393674D+01 -0.191554D+02 -0.821033D+00 -0.373839D+00  0.104119D+01
      3  -0.848859D+01 -0.283339D+01  0.899412D+00 -0.430116D+00  0.196753D+00
               121           122           123           124           125 
      1   0.643663D+00 -0.633113D+00 -0.266582D+00 -0.205671D+00  0.357891D+01
      2   0.230232D+00 -0.136389D+01  0.419865D+00 -0.371465D+01  0.462301D+00
      3   0.225601D+01 -0.936654D+00  0.148805D+01 -0.125066D+00  0.172156D+01
               126           127           128           129           130 
      1  -0.107600D+01  0.663668D+00  0.856851D-01  0.298017D+00  0.175982D+00
      2  -0.110528D+02  0.237662D+01 -0.236851D+00  0.194566D+01 -0.145434D+00
      3  -0.474765D+00 -0.520467D+00 -0.166934D+01 -0.307382D+00 -0.128987D+01
               131           132           133           134           135 
      1  -0.156276D-01 -0.102710D+01  0.833127D+00  0.289692D+01  0.426294D+01
      2   0.158173D+01 -0.165609D+01  0.110265D+01 -0.226742D+01  0.226333D+02
      3   0.141189D+01 -0.171513D+01 -0.512938D+00 -0.340495D+01  0.167029D+01
               136           137           138           139           140 
      1   0.596236D-01 -0.321016D-01 -0.608354D+00 -0.257784D-01 -0.448466D+00
      2  -0.355018D+01 -0.162274D+01  0.506085D+01 -0.160180D+01 -0.296531D+01
      3  -0.108088D+02 -0.105063D+02  0.202805D+01 -0.886897D+01 -0.109322D+02
               141           142           143           144           145 
      1  -0.128907D+01  0.565497D+00  0.119093D+01  0.140714D+00 -0.801142D+00
      2   0.420175D+01  0.273594D+01  0.178194D+01 -0.107754D+01 -0.251629D+01
      3   0.318526D+01  0.215366D+01  0.419898D+01 -0.213438D+01  0.310205D+01
               146           147           148           149           150 
      1   0.571747D+00  0.106853D+01  0.727741D+00 -0.139374D+01 -0.376578D+01
      2   0.177542D+01  0.270657D+01  0.151572D+01 -0.525587D+01 -0.559966D+01
      3  -0.689177D+01 -0.115483D+01 -0.579548D+01  0.183911D+02  0.508092D+01
               151           152           153 
      1   0.771297D+00 -0.202095D+00 -0.107780D+01
      2   0.151834D+01 -0.412702D+01 -0.221408D+01
      3  -0.103136D+01  0.636830D+01  0.362299D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.238831D+01  0.698723D+01  0.215419D+01  0.480668D+01 -0.380568D+01
      2  -0.211660D+01 -0.142434D+02  0.185561D+01 -0.126275D+02 -0.544021D+01
      3  -0.271713D+00  0.725614D+01 -0.400980D+01  0.782084D+01  0.924589D+01
      4   0.591691D+00 -0.108988D+02  0.214629D+01 -0.112729D+02 -0.117585D+02
      5   0.276902D+01  0.332383D+01 -0.299158D+01  0.317368D+01  0.463004D+01
      6   0.396334D+01  0.200616D+01 -0.556107D+01  0.309386D+01  0.120230D+02
                 6             7             8             9            10 
      1  -0.344906D+01  0.309154D+01 -0.338446D+01  0.671915D+01 -0.130525D+02
      2   0.910169D+01  0.368100D+01  0.119413D+02  0.255796D+01  0.420429D+01
      3  -0.565263D+01 -0.677254D+01 -0.855687D+01 -0.927711D+01  0.884821D+01
      4   0.500082D+01  0.239557D+01  0.847607D+01 -0.102331D+02  0.712038D+01
      5  -0.210977D+01 -0.340713D+01 -0.511824D+01 -0.107812D+02 -0.755348D+01
      6  -0.183541D+01 -0.756300D+01 -0.476242D+01 -0.169130D+02 -0.136026D+00
                11            12            13            14            15 
      1   0.605821D+01 -0.430394D+01  0.101105D+02  0.115219D+02  0.175736D+01
      2  -0.519841D+00  0.230869D+01 -0.390650D+01 -0.595177D+01 -0.223656D+01
      3  -0.553837D+01  0.199526D+01 -0.620402D+01 -0.557009D+01  0.479202D+00
      4   0.190318D+01  0.145413D+01  0.796019D+01 -0.484356D+01 -0.231747D+01
      5   0.183123D+01 -0.146513D+01  0.111220D+01 -0.287786D+01 -0.148123D+01
      6  -0.523416D+00  0.901670D+00 -0.124704D+01 -0.534291D+00  0.102232D+01
                16            17            18            19            20 
      1  -0.102008D+02  0.215940D+01  0.969069D+01 -0.299429D-01 -0.475075D+01
      2   0.314376D+01 -0.304026D+01  0.105173D+02 -0.188800D+01  0.903767D+01
      3   0.705709D+01  0.880862D+00 -0.202080D+02  0.191794D+01 -0.428692D+01
      4   0.842289D+00 -0.367402D+01 -0.140075D+01  0.428234D+01 -0.150655D+02
      5   0.301819D+01 -0.136879D+01  0.248289D+02  0.334890D+01 -0.489324D+01
      6  -0.208982D+00  0.453281D+01 -0.394709D+00 -0.536762D+01  0.326713D+01
                21            22            23            24            25 
      1   0.250673D+01  0.338375D+01 -0.574651D+01 -0.111454D+01  0.326998D+00
      2   0.231119D+01  0.991720D+00  0.108455D+02 -0.303322D+01  0.323195D+01
      3  -0.481792D+01 -0.437547D+01 -0.509898D+01  0.414776D+01 -0.355894D+01
      4  -0.389102D+01 -0.244486D+01  0.779312D+01  0.197972D+01 -0.618286D+01
      5  -0.775405D+01 -0.454884D+01  0.258520D+01  0.826818D+01 -0.805985D+01
      6   0.894845D+01  0.397161D+01 -0.444728D+01 -0.551672D+01  0.984711D+01
                26            27            28            29            30 
      1  -0.529851D+01  0.795414D+01 -0.404170D+02 -0.992290D+01 -0.124597D+00
      2  -0.318339D+01 -0.425228D+01  0.218768D+02  0.168029D+01 -0.215692D+00
      3   0.848190D+01 -0.370186D+01  0.185402D+02  0.824261D+01  0.340289D+00
      4  -0.381392D+00  0.177418D+02 -0.245831D+02 -0.110508D+02  0.112893D+01
      5   0.126733D+02 -0.740194D+01  0.187158D+01  0.124261D+01 -0.107439D+02
      6  -0.161933D+02  0.129716D+02 -0.102914D+01 -0.622383D+00 -0.337842D+01
                31            32            33            34            35 
      1  -0.164415D+02 -0.526466D+00 -0.363688D-01  0.734273D+00  0.571280D+00
      2   0.106197D+02 -0.463997D+01 -0.408078D+00 -0.998527D+00  0.988022D+00
      3   0.582179D+01  0.516644D+01  0.444447D+00  0.264254D+00 -0.155930D+01
      4  -0.753063D+01  0.932159D+00  0.578807D-01  0.219262D+01  0.776253D+00
      5   0.192356D+01 -0.254690D+00 -0.259205D+01  0.338795D+01 -0.117844D+01
      6  -0.140202D+01  0.207102D+01 -0.391761D+01 -0.105706D+01  0.493563D+01
                36            37            38            39            40 
      1  -0.966860D+01  0.112815D+01  0.566278D+00  0.269295D+01 -0.111904D+02
      2  -0.139387D+01  0.320796D+01 -0.345201D+01 -0.254859D+01  0.576319D+01
      3   0.110625D+02 -0.433611D+01  0.288573D+01 -0.144362D+00  0.542725D+01
      4  -0.373304D+01  0.408771D-01  0.405150D+01 -0.360318D+00 -0.134751D+01
      5   0.165578D+01  0.370811D+00 -0.707673D+00  0.198804D+01 -0.166309D+00
      6  -0.979419D+00  0.163638D+01 -0.296526D+01  0.270959D+00 -0.176429D+01
                41            42            43            44            45 
      1   0.920038D+01  0.132035D+01  0.988751D+01 -0.477652D+00  0.149861D+02
      2  -0.113422D+02 -0.650915D+01 -0.513230D+01 -0.617515D+01 -0.934976D+01
      3   0.214178D+01  0.518880D+01 -0.475522D+01  0.665281D+01 -0.563629D+01
      4  -0.517661D+01 -0.144981D+01  0.234529D+01 -0.172918D+01  0.345538D+01
      5  -0.130873D+01 -0.207902D+01 -0.282123D+01  0.138760D+01 -0.396226D+01
      6  -0.116281D+02 -0.926458D+01  0.549332D+01 -0.165064D+02  0.115501D+02
                46            47            48            49            50 
      1   0.867976D+00  0.373264D+00  0.126885D+01  0.109286D+01 -0.714096D+01
      2  -0.116524D+01 -0.181348D+01 -0.186201D+01 -0.246385D+01  0.764399D+01
      3   0.297259D+00  0.144021D+01  0.593156D+00  0.137099D+01 -0.503028D+00
      4  -0.639860D+01  0.950073D+01 -0.570282D+01  0.568126D+01 -0.827486D+01
      5   0.610280D+01 -0.339416D+01  0.866979D+01 -0.136061D+01  0.442785D+01
      6  -0.501119D+01  0.347552D+01 -0.490157D+01  0.330110D+01 -0.823003D+01
                51            52            53            54            55 
      1   0.519083D+01  0.205976D+01  0.956175D+01 -0.128431D+02  0.827096D+01
      2  -0.449863D+01 -0.329556D+01 -0.564740D+01 -0.224092D+01  0.195270D+00
      3  -0.692201D+00  0.123580D+01 -0.391435D+01  0.150841D+02 -0.846623D+01
      4   0.552788D+01 -0.733519D+01  0.101682D+02 -0.133300D+02 -0.178532D+02
      5  -0.454636D+01  0.949705D+01 -0.968323D+01  0.180602D+02 -0.904555D+01
      6   0.105762D+02 -0.765869D+01  0.167991D+02 -0.239472D+02  0.715787D+01
                56            57            58            59            60 
      1  -0.703391D+00 -0.249022D+01  0.785463D+00 -0.743378D+01 -0.251008D+01
      2  -0.631439D+01 -0.106255D+00 -0.650562D+01  0.154987D+02  0.540469D+01
      3   0.701778D+01  0.259647D+01  0.572015D+01 -0.806490D+01 -0.289461D+01
      4   0.192572D+02  0.783927D+01  0.134082D+02 -0.179448D+02 -0.708143D+01
      5   0.590169D+01  0.821895D+01  0.426188D+01 -0.680354D+01 -0.560660D+01
      6  -0.622825D+01 -0.617119D+01 -0.528351D+01  0.967567D+01  0.889602D+01
                61            62            63            64            65 
      1  -0.263634D+01 -0.372693D+01 -0.437944D+01  0.865936D+02  0.176302D+02
      2   0.118347D+00  0.704712D+01  0.215904D+01 -0.468437D+02 -0.553946D+01
      3   0.251799D+01 -0.332019D+01  0.222040D+01 -0.397499D+02 -0.120907D+02
      4   0.106234D+02 -0.110427D+02 -0.113157D+02  0.377647D+02  0.251334D+02
      5   0.937221D+01 -0.923401D+01 -0.937006D+01 -0.326687D+01 -0.102855D+01
      6  -0.803899D+01  0.130995D+02  0.101476D+02  0.136826D+01  0.405436D+00
                66            67            68            69            70 
      1  -0.141564D+01  0.161985D+02  0.110957D+02  0.204012D+00 -0.183668D+01
      2   0.126602D+01 -0.490034D+01  0.834507D+00 -0.316973D+00  0.195517D+01
      3   0.149612D+00 -0.112982D+02 -0.119302D+02  0.112961D+00 -0.118488D+00
      4  -0.548595D+00  0.297479D+02  0.199197D+02 -0.337751D+00 -0.715171D+00
      5   0.211815D+02 -0.100134D+01 -0.667396D+00  0.645420D+01  0.250553D+02
      6   0.533483D+01  0.477384D+00 -0.940724D+00  0.661526D+01  0.574647D+01
                71            72            73            74            75 
      1   0.136419D+00  0.127292D+02 -0.381965D-01 -0.189631D+01 -0.762259D+00
      2  -0.143970D+00 -0.105315D+02  0.181250D+01  0.328090D+01  0.736315D+00
      3   0.755078D-02 -0.219769D+01 -0.177431D+01 -0.138458D+01  0.259443D-01
      4  -0.301920D+00  0.901613D+01  0.174910D+01  0.890533D+01  0.272746D+01
      5   0.745546D+01 -0.240103D+01  0.708637D+00  0.175724D+01  0.260778D+01
      6   0.719224D+01 -0.473237D-01  0.280220D+01  0.151137D+01  0.485659D+00
                76            77            78            79            80 
      1   0.163875D+01 -0.243696D+02 -0.769933D+01 -0.986680D+00 -0.105596D+02
      2  -0.556083D+00  0.350952D+02  0.986430D+01  0.592671D+00  0.121614D+02
      3  -0.108266D+01 -0.107256D+02 -0.216497D+01  0.394009D+00 -0.160177D+01
      4   0.597151D+01  0.187310D+01  0.912772D+00  0.357637D+01  0.120560D+01
      5   0.135946D+01  0.131231D+01  0.771346D+00  0.222714D+01  0.790703D+00
      6   0.284476D+00  0.162061D+02  0.116414D+02 -0.857977D+00  0.152691D+02
                81            82            83            84            85 
      1  -0.104051D+02 -0.402282D+00 -0.144396D+00 -0.774674D+00  0.223698D+01
      2   0.702545D+01 -0.141583D+01 -0.303554D+00  0.265584D+00 -0.232915D+01
      3   0.337962D+01  0.181811D+01  0.447949D+00  0.509090D+00  0.921705D-01
      4   0.167373D+00 -0.270424D+01  0.352883D+01 -0.358378D+01  0.236735D+01
      5   0.116615D+01  0.742908D+00 -0.200189D+01  0.469846D+01 -0.838173D+00
      6   0.103364D+02 -0.355508D+01  0.100772D+01 -0.169088D+01  0.122093D+01
                86            87            88            89            90 
      1  -0.106493D+02  0.589785D+01 -0.316073D+01  0.108730D+02 -0.187302D+02
      2   0.101651D+02 -0.422837D+01  0.513490D+00 -0.607395D+01  0.136789D+01
      3   0.484218D+00 -0.166949D+01  0.264724D+01 -0.479908D+01  0.173623D+02
      4  -0.184869D+01  0.102983D+01 -0.544198D+01  0.144421D+01 -0.239201D+01
      5   0.102373D+01 -0.394593D-01  0.439589D+01 -0.132818D+01  0.194221D+01
      6  -0.733950D+01  0.100728D+02 -0.426791D+01  0.152558D+02 -0.215423D+02
                91            92            93            94            95 
      1   0.158998D+01 -0.295228D+01 -0.488367D+00 -0.327083D+01 -0.158210D+02
      2   0.610800D+01  0.114605D+02 -0.153476D+01  0.110753D+02  0.336613D+02
      3  -0.769798D+01 -0.850822D+01  0.202313D+01 -0.780450D+01 -0.178403D+02
      4   0.134858D+02  0.171580D+02 -0.403612D+01  0.157667D+02  0.224409D+02
      5  -0.349297D+01 -0.239018D+01  0.366936D+01 -0.221595D+01 -0.422543D+01
      6  -0.412031D+01 -0.350270D+01  0.390640D+01 -0.346852D+01 -0.955603D+01
                96            97            98            99           100 
      1   0.343624D+01 -0.547743D+00  0.601924D+01 -0.461104D+01  0.330863D+00
      2  -0.700991D+01 -0.210430D+01 -0.106760D+02  0.392168D+01 -0.248566D+01
      3   0.357367D+01  0.265204D+01  0.465678D+01  0.689364D+00  0.215479D+01
      4  -0.514282D+01 -0.663058D+01 -0.856610D+01  0.633718D+01  0.272195D+01
      5   0.306489D+01  0.420134D+01  0.449127D+01 -0.283755D+01  0.422066D+01
      6   0.772296D+01  0.543183D+01  0.997419D+01 -0.519191D+01  0.338239D+01
               101           102           103           104           105 
      1  -0.906460D+00  0.542390D+00 -0.189733D+01 -0.340174D+01 -0.307089D+01
      2   0.223119D+01 -0.229926D+01  0.316223D+01  0.276157D+01  0.259028D+01
      3  -0.132473D+01  0.175687D+01 -0.126490D+01  0.640165D+00  0.480612D+00
      4   0.467600D+01  0.347198D+01  0.314912D+01  0.334844D+01  0.169337D+01
      5   0.121318D+01  0.770014D+01 -0.263121D+00  0.143913D+01  0.171307D+00
      6   0.152799D+01  0.321284D+01  0.962415D+00  0.329047D+01  0.658140D+01
               106           107           108           109           110 
      1   0.370409D+00 -0.582579D+01 -0.155571D+02  0.102939D+01 -0.210576D+02
      2  -0.363035D+01  0.292617D+01 -0.817629D+01 -0.177139D+01  0.146571D+02
      3   0.325994D+01  0.289962D+01  0.237334D+02  0.741999D+00  0.640048D+01
      4   0.508497D+01  0.358819D+01  0.764803D+01 -0.207768D+02 -0.215794D+02
      5   0.722652D+01  0.377147D+01  0.131710D+02  0.170261D+02 -0.117161D+01
      6   0.589938D+01  0.100999D+02  0.234062D+02 -0.210708D+01  0.299436D+01
               111           112           113           114           115 
      1   0.123125D+02 -0.268426D+02 -0.204761D+02  0.219625D+01  0.169693D+02
      2  -0.473003D+01  0.193016D+02  0.271421D+01 -0.535243D+01 -0.433941D+01
      3  -0.758244D+01  0.754101D+01  0.177619D+02  0.315618D+01 -0.126299D+02
      4  -0.138453D+01 -0.303589D+02  0.184267D+02  0.164759D+02 -0.187618D+01
      5  -0.372513D+01 -0.121938D+01  0.176746D+02  0.474517D+01 -0.759021D+01
      6   0.643362D+00  0.378949D+01 -0.553842D+01 -0.254453D+01  0.199453D+01
               116           117           118           119           120 
      1   0.139030D+01  0.185237D+01  0.324673D+01 -0.100333D+01 -0.299495D+01
      2  -0.544556D+01  0.543814D+01 -0.539338D+01  0.377913D+00  0.162167D+01
      3   0.405526D+01 -0.729052D+01  0.214665D+01  0.625416D+00  0.137328D+01
      4   0.166943D+02  0.588601D+01 -0.973430D+00  0.173484D+01 -0.561301D-01
      5   0.625898D+01 -0.342166D+02 -0.283205D+01 -0.432608D+00  0.820786D+01
      6  -0.324537D+01  0.734703D+01 -0.162376D+00 -0.167826D+00 -0.948546D-02
               121           122           123           124           125 
      1  -0.548825D+00 -0.503231D+01  0.908364D+00 -0.365390D+01  0.132336D+01
      2   0.195994D-02  0.631551D+00  0.621614D+00  0.450441D+01 -0.592153D-01
      3   0.546865D+00  0.440076D+01 -0.152998D+01 -0.850513D+00 -0.126414D+01
      4   0.159122D+01  0.106062D+01 -0.206544D+01  0.917054D+00 -0.201017D+01
      5  -0.518523D+00 -0.263705D+01  0.123659D+01  0.675304D+01  0.673451D+00
      6  -0.334655D+00 -0.450288D+00  0.789141D+01 -0.445988D-01  0.430584D+01
               126           127           128           129           130 
      1  -0.205407D+02  0.245798D+01  0.130099D+01  0.516608D+01  0.209540D+01
      2  -0.189414D+02 -0.343635D+01 -0.809649D+00 -0.354191D+01 -0.175163D+01
      3   0.394821D+02  0.978372D+00 -0.491337D+00 -0.162417D+01 -0.343770D+00
      4   0.139950D+01  0.953444D+00  0.328237D+01 -0.144522D+01  0.622409D+01
      5  -0.231864D+02  0.467064D+01 -0.802441D+00  0.742578D+01 -0.795740D+00
      6   0.199243D-01 -0.124552D+01 -0.496200D+00 -0.672404D+00  0.701533D+00
               131           132           133           134           135 
      1   0.108947D+01  0.577323D+00  0.107753D+02  0.231598D+00 -0.556234D+01
      2  -0.214329D+00 -0.105098D+00 -0.903761D+01  0.179384D+00 -0.137849D+02
      3  -0.875144D+00 -0.472225D+00 -0.173772D+01 -0.410983D+00  0.193472D+02
      4  -0.390413D+01  0.325961D+01 -0.364169D+01  0.591834D+01 -0.436961D+01
      5   0.311907D+01 -0.319497D+01  0.149831D+02 -0.475643D+01  0.427470D+02
      6  -0.124623D+01  0.564757D+01 -0.231963D+01  0.600602D+01 -0.980854D+01
               136           137           138           139           140 
      1   0.489321D+02  0.189493D+02 -0.805287D+01  0.304780D+02  0.154619D+02
      2  -0.256914D+02 -0.102338D+02  0.458071D+01 -0.155376D+02 -0.459018D+01
      3  -0.232407D+02 -0.871548D+01  0.347216D+01 -0.149404D+02 -0.108717D+02
      4   0.183770D+02  0.172498D+02 -0.308500D+01  0.221271D+02  0.193919D+02
      5  -0.911584D+01 -0.338506D+01  0.935968D+01 -0.455009D+01 -0.608829D+01
      6  -0.255566D+00 -0.822370D-01  0.316526D+00 -0.834688D+00 -0.362342D+00
               141           142           143           144           145 
      1  -0.353319D+01 -0.127810D+02 -0.318596D+01  0.597594D+01  0.146312D+02
      2   0.247298D+01  0.732440D+01  0.264689D+01 -0.541863D+01 -0.396086D+01
      3   0.106022D+01  0.545658D+01  0.539077D+00 -0.557301D+00 -0.106703D+02
      4  -0.603233D+01 -0.395762D+01 -0.728108D+01  0.414605D+01 -0.136172D+02
      5   0.749919D+01  0.115175D+02  0.481237D+01 -0.375376D+01 -0.619044D+01
      6   0.226198D+01  0.125475D+01  0.273483D+01 -0.192937D+01  0.267947D+01
               146           147           148           149           150 
      1  -0.828716D+01 -0.478961D+01 -0.127559D+02  0.502945D+01  0.248943D+00
      2   0.383578D+00  0.166945D+01 -0.965182D-01  0.143365D+02  0.299475D+01
      3   0.790358D+01  0.312016D+01  0.128524D+02 -0.193660D+02 -0.324369D+01
      4   0.187204D+02  0.483938D+01  0.271057D+02 -0.412547D+02 -0.111758D+02
      5   0.445153D+01  0.559825D+01  0.564729D+01 -0.113489D+02 -0.105614D+02
      6  -0.160741D+01 -0.163567D+01 -0.313317D+01  0.652084D+01  0.679519D+01
               151           152           153 
      1  -0.863451D+01  0.516600D+00  0.626226D+00
      2   0.324958D+01  0.287869D+01 -0.661770D+00
      3   0.538493D+01 -0.339529D+01  0.355440D-01
      4   0.780372D+01 -0.132845D+02 -0.902331D+01
      5   0.838871D+01 -0.946662D+01 -0.532566D+01
      6  -0.346985D+01  0.700971D+01  0.448877D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 20:09:58 2021, MaxMem= 10737418240 cpu:           12967.4 elap:             811.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46568 -10.52965 -10.45176 -10.44401 -10.44356
 Alpha  occ. eigenvalues --  -10.44217 -10.43473  -1.18659  -0.99602  -0.89219
 Alpha  occ. eigenvalues --   -0.85410  -0.78776  -0.70617  -0.65895  -0.62104
 Alpha  occ. eigenvalues --   -0.58657  -0.56018  -0.54947  -0.53204  -0.52880
 Alpha  occ. eigenvalues --   -0.49771  -0.48890  -0.45934  -0.44996  -0.43922
 Alpha  occ. eigenvalues --   -0.43246  -0.35121
 Alpha virt. eigenvalues --   -0.01364  -0.00347  -0.00230   0.00262   0.01992
 Alpha virt. eigenvalues --    0.02092   0.02264   0.02607   0.02962   0.04884
 Alpha virt. eigenvalues --    0.05979   0.06098   0.07212   0.08447   0.09062
 Alpha virt. eigenvalues --    0.09193   0.09703   0.11021   0.11304   0.11648
 Alpha virt. eigenvalues --    0.11730   0.12237   0.12663   0.13283   0.13517
 Alpha virt. eigenvalues --    0.14526   0.15071   0.15554   0.16053   0.16388
 Alpha virt. eigenvalues --    0.17068   0.18762   0.19887   0.21463   0.21751
 Alpha virt. eigenvalues --    0.23870   0.25293   0.26174   0.26851   0.27852
 Alpha virt. eigenvalues --    0.28646   0.29434   0.29726   0.30328   0.30764
 Alpha virt. eigenvalues --    0.31148   0.32651   0.33238   0.33927   0.34832
 Alpha virt. eigenvalues --    0.36132   0.36540   0.37944   0.38365   0.39222
 Alpha virt. eigenvalues --    0.39649   0.39991   0.40237   0.41053   0.41804
 Alpha virt. eigenvalues --    0.42125   0.42907   0.44426   0.44783   0.45072
 Alpha virt. eigenvalues --    0.46447   0.47414   0.47913   0.48558   0.50520
 Alpha virt. eigenvalues --    0.51086   0.51232   0.52229   0.53949   0.54314
 Alpha virt. eigenvalues --    0.54934   0.55687   0.56815   0.57346   0.57683
 Alpha virt. eigenvalues --    0.58685   0.59767   0.60723   0.61402   0.62452
 Alpha virt. eigenvalues --    0.63001   0.64767   0.65686   0.66635   0.67424
 Alpha virt. eigenvalues --    0.68876   0.69264   0.69990   0.70559   0.71420
 Alpha virt. eigenvalues --    0.72235   0.73238   0.74268   0.74410   0.75013
 Alpha virt. eigenvalues --    0.75778   0.76723   0.78800   0.79361   0.79883
 Alpha virt. eigenvalues --    0.80356   0.81972   0.82240   0.83311   0.85212
 Alpha virt. eigenvalues --    0.87082   0.89143   0.90335   0.90742   0.91783
 Alpha virt. eigenvalues --    0.93569   0.96880   0.98482   0.99297   0.99834
 Alpha virt. eigenvalues --    1.03898   1.04932   1.07439   1.11019   1.12627
 Alpha virt. eigenvalues --    1.14192   1.14588   1.15855   1.17480   1.20128
 Alpha virt. eigenvalues --    1.21609   1.22066   1.25036   1.26566   1.28440
 Alpha virt. eigenvalues --    1.29270   1.30701   1.33219   1.34833   1.39714
 Alpha virt. eigenvalues --    1.43083   1.45601   1.46437   1.49481   1.51591
 Alpha virt. eigenvalues --    1.54014   1.55323   1.59426   1.60114   1.63266
 Alpha virt. eigenvalues --    1.65404   1.65854   1.66827   1.67627   1.71107
 Alpha virt. eigenvalues --    1.72500   1.73949   1.76888   1.78166   1.80272
 Alpha virt. eigenvalues --    1.82001   1.83494   1.85410   1.86068   1.88660
 Alpha virt. eigenvalues --    1.90296   1.91697   1.92183   1.93339   1.94901
 Alpha virt. eigenvalues --    1.96623   1.98262   2.00967   2.02389   2.06301
 Alpha virt. eigenvalues --    2.07037   2.07999   2.10169   2.11811   2.12327
 Alpha virt. eigenvalues --    2.14164   2.16164   2.18653   2.20477   2.23717
 Alpha virt. eigenvalues --    2.24081   2.26725   2.26960   2.29270   2.32212
 Alpha virt. eigenvalues --    2.34693   2.35606   2.39788   2.40959   2.46173
 Alpha virt. eigenvalues --    2.47705   2.49975   2.51700   2.53582   2.55483
 Alpha virt. eigenvalues --    2.58783   2.61140   2.62682   2.63726   2.65255
 Alpha virt. eigenvalues --    2.67191   2.72056   2.77794   2.80233   2.87727
 Alpha virt. eigenvalues --    2.88377   2.90156   2.96900   3.00059   3.04014
 Alpha virt. eigenvalues --    3.05666   3.12865   3.38413   3.51328   3.52432
 Alpha virt. eigenvalues --    3.56392   3.66385   3.77448   3.86977
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.382667  -0.562348   0.125181   0.030214  -0.714530   0.151782
     2  C   -0.562348   8.116199  -0.162713   0.041500  -0.182119  -0.060339
     3  C    0.125181  -0.162713   5.915247  -0.395988  -0.122615  -0.004735
     4  C    0.030214   0.041500  -0.395988   7.151430  -0.869060  -0.061891
     5  C   -0.714530  -0.182119  -0.122615  -0.869060   6.883780   0.008766
     6  H    0.151782  -0.060339  -0.004735  -0.061891   0.008766   1.425823
     7  H    0.055523   0.028332  -0.082721   0.057789   0.073759  -0.291343
     8  O   -0.029762  -0.023804  -0.072928   0.694117  -0.039601   0.002256
     9  H    0.112509   0.162780   0.032968   0.021059  -0.325231   0.000090
    10  H   -0.066154  -0.055336   0.046701  -0.086917   0.138772  -0.003379
    11  H   -0.608146   0.357557   0.216967  -0.051305   0.132031  -0.208529
    12  H   -0.052246  -0.230250  -0.070292  -0.047956   0.034645   0.143299
    13  C   -0.100833   0.062229   0.029833  -0.061271  -0.120379   0.024660
    14  H    0.273077  -1.481378   0.010307  -0.073740   0.307845   0.035024
    15  H   -0.024181  -0.359078   0.020857   0.014688   0.000147   0.001989
    16  H    0.001195   0.258634   0.014992  -0.010418  -0.028630   0.000157
    17  H   -0.006988   0.279653  -0.020836   0.022228  -0.043279  -0.000698
               7          8          9         10         11         12
     1  C    0.055523  -0.029762   0.112509  -0.066154  -0.608146  -0.052246
     2  C    0.028332  -0.023804   0.162780  -0.055336   0.357557  -0.230250
     3  C   -0.082721  -0.072928   0.032968   0.046701   0.216967  -0.070292
     4  C    0.057789   0.694117   0.021059  -0.086917  -0.051305  -0.047956
     5  C    0.073759  -0.039601  -0.325231   0.138772   0.132031   0.034645
     6  H   -0.291343   0.002256   0.000090  -0.003379  -0.208529   0.143299
     7  H    1.469529  -0.004642   0.004831   0.003465   0.040794  -0.190329
     8  O   -0.004642   7.734436  -0.015844   0.006131   0.002664   0.001388
     9  H    0.004831  -0.015844   1.673311  -0.300549   0.005699   0.004288
    10  H    0.003465   0.006131  -0.300549   1.539813   0.009202   0.028447
    11  H    0.040794   0.002664   0.005699   0.009202   2.032690  -0.472383
    12  H   -0.190329   0.001388   0.004288   0.028447  -0.472383   2.261151
    13  C   -0.002755   0.001732   0.044283  -0.139047  -0.008622  -0.100268
    14  H   -0.006716   0.006396  -0.160341   0.116377  -0.139408   0.130229
    15  H   -0.001607  -0.000365  -0.000113  -0.008754   0.005659  -0.016821
    16  H    0.000590  -0.000002   0.006344  -0.002024  -0.017297  -0.023158
    17  H    0.000690  -0.000824  -0.008981  -0.022663   0.002979   0.003779
              13         14         15         16         17
     1  C   -0.100833   0.273077  -0.024181   0.001195  -0.006988
     2  C    0.062229  -1.481378  -0.359078   0.258634   0.279653
     3  C    0.029833   0.010307   0.020857   0.014992  -0.020836
     4  C   -0.061271  -0.073740   0.014688  -0.010418   0.022228
     5  C   -0.120379   0.307845   0.000147  -0.028630  -0.043279
     6  H    0.024660   0.035024   0.001989   0.000157  -0.000698
     7  H   -0.002755  -0.006716  -0.001607   0.000590   0.000690
     8  O    0.001732   0.006396  -0.000365  -0.000002  -0.000824
     9  H    0.044283  -0.160341  -0.000113   0.006344  -0.008981
    10  H   -0.139047   0.116377  -0.008754  -0.002024  -0.022663
    11  H   -0.008622  -0.139408   0.005659  -0.017297   0.002979
    12  H   -0.100268   0.130229  -0.016821  -0.023158   0.003779
    13  C    4.993017  -0.084516   0.513062   0.064154   0.067578
    14  H   -0.084516   2.631510   0.086095  -0.072162  -0.052824
    15  H    0.513062   0.086095   1.632779  -0.332598  -0.346979
    16  H    0.064154  -0.072162  -0.332598   1.627637  -0.383313
    17  H    0.067578  -0.052824  -0.346979  -0.383313   1.622745
 Mulliken charges:
               1
     1  C    1.033041
     2  C   -0.189519
     3  C    0.519775
     4  C   -0.374481
     5  C    0.865696
     6  H   -0.162932
     7  H   -0.155191
     8  O   -0.261349
     9  H   -0.257104
    10  H   -0.204083
    11  H   -0.300551
    12  H   -0.403523
    13  C    0.817144
    14  H   -0.525774
    15  H   -0.184782
    16  H   -0.104100
    17  H   -0.112267
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.328967
     2  C   -0.715293
     3  C    0.201651
     4  C   -0.374481
     5  C    0.404509
     8  O   -0.261349
    13  C    0.415995
 Electronic spatial extent (au):  <R**2>=            818.5831
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.2015    Y=              1.2212    Z=             -0.2110  Tot=              3.4330
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.5814   YY=            -42.8962   ZZ=            -41.9622
   XY=             -3.8865   XZ=              0.0847   YZ=              0.0233
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.4348   YY=              3.2504   ZZ=              4.1844
   XY=             -3.8865   XZ=              0.0847   YZ=              0.0233
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             22.2196  YYY=             -1.1554  ZZZ=              0.4228  XYY=             -0.1042
  XXY=              9.9307  XXZ=             -1.5499  XZZ=             -3.4219  YZZ=             -0.4700
  YYZ=             -1.4701  XYZ=             -0.7317
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -793.4219 YYYY=           -291.6569 ZZZZ=            -85.3352 XXXY=            -16.6192
 XXXZ=             -2.9599 YYYX=             -0.6125 YYYZ=              1.7318 ZZZX=              1.1526
 ZZZY=             -1.4012 XXYY=           -171.2018 XXZZ=           -131.2976 YYZZ=            -60.6745
 XXYZ=              1.1052 YYXZ=             -2.5834 ZZXY=              0.0079
 N-N= 3.061006696928D+02 E-N=-1.332230511784D+03  KE= 3.076185026991D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 20:09:59 2021, MaxMem= 10737418240 cpu:               5.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.16987960D+00 4.47327229D-01-7.97472953D-02
 Polarizability= 8.20998665D+01-1.97653910D-01 7.14869907D+01
                 2.18277203D-01-4.09231922D-01 5.84645547D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1726   -0.1675        0.0945    0.0903
 2      0.1726    0.1675        0.2464    0.2430       -5.8246   -5.8192
 3     -0.0945   -0.0903       12.7363   12.7499       -0.2461   -0.2430
 4     -0.2464   -0.2430        0.0000    0.0000       -0.0934   -0.0903
 5     -6.9117   -6.9307        0.0934    0.0903       -0.1706   -0.1675
 6      0.2461    0.2430        0.1706    0.1675       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.5024    0.5024        0.2710    0.2710
 2     -0.7291   -0.7291       -0.0000    0.0000        0.2710    0.2710
 3     -0.7291   -0.7291        0.5024    0.5024       -0.0000    0.0000
 4      0.5024    0.5024        0.7291    0.7291      -17.4576  -17.4576
 5     -0.2710   -0.2710       38.2496   38.2496       -0.7291   -0.7291
 6    -20.7921  -20.7921        0.2710    0.2710       -0.5024   -0.5024
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1404    0.0000        0.5862    0.6698       -0.4622   -0.3614
 2     -0.6550   -0.6698       -0.7544   -0.9722       23.4428   23.2767
 3      0.4525    0.3614      -51.0831  -50.9995        1.0577    0.9722
 4      0.8076    0.9722        0.2362    0.0000        0.2987    0.3614
 5     27.6782   27.7228       -0.5072   -0.3614        0.4218    0.6698
 6     -0.7929   -0.9722       -0.5910   -0.6698        0.0772    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2469    0.0000        2.5013    2.2953        0.0493    0.3116
 2     -2.5067   -2.2953        7.0889    7.0945       -4.9951   -4.9380
 3     -0.2948   -0.3116        2.9342    3.0612       -6.6694   -7.0945
 4     -7.3307   -7.0945        0.0259    0.0000       -0.0449   -0.3116
 5      2.1999    1.8768        0.3595    0.3116        2.7304    2.2953
 6      7.0015    7.0945       -2.5480   -2.2953       -0.3154    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.0476   -2.0332       19.8420   20.0083        7.4189    7.3632
 2    -18.5987  -18.6425       22.1931   21.9999        7.7280    7.3632
 3    -18.6698  -18.6425       20.1980   20.0083        4.7609    4.4676
 4     -1.8496   -1.9916       16.6694   16.6093       -9.1187   -9.2591
 5     -3.3461   -2.8955        0.5461    0.8034      -16.6884  -16.6093
 6      9.1936    8.4557        2.6845    2.8955        2.4433    1.9916
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9418   -0.0005   -0.0004    0.0005    4.6992   10.1764
 Low frequencies ---   85.9645  172.0819  241.6185
 Diagonal vibrational polarizability:
        3.5032084       3.8653291      21.0127098
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.9637               172.0815               241.6185
 Red. masses --      2.9598                 1.9348                 1.0574
 Frc consts  --      0.0129                 0.0338                 0.0364
 IR Inten    --      5.5435                 0.2528                 0.0665
 RamAct Fr= 1--      0.4045                 0.2388                 0.0298
  Dep-P Fr= 1--      0.7374                 0.6169                 0.6223
  Dep-U Fr= 1--      0.8488                 0.7631                 0.7672
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0001
 Beta2  Fr= 1--      0.0572                 0.0304                 0.0038
 AlphaG Fr= 1--     -0.0010                -0.0042                 0.0001
 Gamma2 Fr= 1--     -0.1535                -0.1996                -0.0560
 Delta2 Fr= 1--      0.1154                -0.0643                 0.0394
 Raman1 Fr= 1--       1.618                  0.955                  0.119
 ROA1   Fr= 1--     -11.044                -21.221                 -4.118
 CID1   Fr= 1--      -6.826                -22.219                -34.493
 Raman2 Fr= 1--       0.687                  0.364                  0.046
 ROA2   Fr= 1--      -4.608                 -4.276                 -1.661
 CID2   Fr= 1--      -6.710                -11.734                -36.259
 Raman3 Fr= 1--       1.373                  0.729                  0.092
 ROA3   Fr= 1--     -11.044                -21.221                 -4.118
 CID3   Fr= 1--      -8.041                -29.117                -44.959
 RC180  Fr= 1--       0.698                  0.526                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.03  -0.04   0.17    -0.01   0.01   0.03
     2   6     0.04   0.03  -0.03    -0.02   0.02   0.06     0.00   0.03   0.00
     3   6     0.00  -0.01  -0.13     0.02  -0.01  -0.15    -0.01   0.00  -0.00
     4   6     0.00   0.00  -0.03    -0.01   0.01  -0.02     0.00  -0.00  -0.01
     5   6    -0.00  -0.02  -0.24     0.00   0.01   0.08     0.01   0.01  -0.03
     6   1     0.13  -0.11  -0.19     0.30  -0.17  -0.28     0.02   0.00  -0.01
     7   1    -0.07   0.07  -0.25    -0.14   0.12  -0.40    -0.03   0.00  -0.02
     8   8     0.01   0.01   0.24    -0.01   0.02   0.02     0.01  -0.02   0.00
     9   1    -0.04   0.14  -0.46     0.04  -0.03   0.12     0.02   0.04  -0.06
    10   1    -0.02  -0.29  -0.34    -0.02   0.07   0.10     0.01  -0.03  -0.04
    11   1     0.02   0.03   0.13     0.08   0.02   0.38    -0.01   0.04   0.08
    12   1    -0.14  -0.08   0.05    -0.25  -0.20   0.22    -0.04  -0.03   0.04
    13   6    -0.03  -0.00   0.13     0.04   0.00  -0.13    -0.01  -0.02  -0.00
    14   1     0.18   0.13  -0.02    -0.12   0.10   0.07     0.01   0.04   0.00
    15   1    -0.18  -0.11   0.13     0.18  -0.10  -0.14     0.12   0.51   0.03
    16   1     0.01   0.03   0.31    -0.01   0.05  -0.15     0.12  -0.34  -0.47
    17   1     0.04   0.04   0.09     0.01   0.05  -0.26    -0.28  -0.30   0.43
                      4                      5                      6
                      A                      A                      A
 Frequencies --    281.8158               413.1140               461.5819
 Red. masses --      2.5876                 1.8208                 2.2680
 Frc consts  --      0.1211                 0.1831                 0.2847
 IR Inten    --      1.0650                 0.5374                 0.5640
 RamAct Fr= 1--      0.4319                 1.0514                 2.4927
  Dep-P Fr= 1--      0.7215                 0.1226                 0.3237
  Dep-U Fr= 1--      0.8382                 0.2184                 0.4890
 Alpha2 Fr= 1--      0.0002                 0.0174                 0.0238
 Beta2  Fr= 1--      0.0603                 0.0383                 0.2032
 AlphaG Fr= 1--     -0.0020                 0.0136                 0.0317
 Gamma2 Fr= 1--     -0.1578                -0.2396                 1.2448
 Delta2 Fr= 1--      0.0238                -0.0413                -0.4812
 Raman1 Fr= 1--       1.727                  4.206                  9.971
 ROA1   Fr= 1--     -14.389                -24.319                104.105
 CID1   Fr= 1--      -8.330                 -5.783                 10.441
 Raman2 Fr= 1--       0.724                  0.459                  2.438
 ROA2   Fr= 1--      -3.978                 -5.420                 33.726
 CID2   Fr= 1--      -5.494                -11.799                 13.833
 Raman3 Fr= 1--       1.448                  0.919                  4.876
 ROA3   Fr= 1--     -14.389                -24.319                104.105
 CID3   Fr= 1--      -9.937                -26.473                 21.350
 RC180  Fr= 1--       0.676                 -0.563                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.13   0.01    -0.02   0.10  -0.03     0.03   0.03   0.00
     2   6    -0.01  -0.12  -0.00     0.03   0.01   0.17    -0.08   0.02  -0.04
     3   6     0.05  -0.04   0.02    -0.03  -0.03  -0.00     0.07  -0.01   0.01
     4   6    -0.03  -0.01  -0.00    -0.02  -0.02   0.04     0.06   0.00   0.23
     5   6    -0.05  -0.12  -0.03    -0.01  -0.05  -0.02     0.00  -0.05   0.01
     6   1     0.05  -0.00   0.03    -0.07  -0.12  -0.03     0.21  -0.43  -0.17
     7   1     0.08  -0.03   0.05    -0.07  -0.01  -0.05    -0.01   0.29  -0.32
     8   8    -0.08   0.12  -0.01    -0.05   0.04  -0.02     0.05  -0.01  -0.10
     9   1    -0.11  -0.06  -0.10    -0.01   0.16  -0.33    -0.18   0.15  -0.25
    10   1    -0.08  -0.21  -0.06    -0.09  -0.42  -0.13     0.23  -0.37  -0.13
    11   1     0.09  -0.14   0.04    -0.11   0.00  -0.31     0.04  -0.00  -0.04
    12   1     0.04  -0.18   0.01     0.03   0.44  -0.06     0.09   0.03  -0.01
    13   6     0.08   0.22   0.01     0.11  -0.04  -0.03    -0.14   0.04  -0.01
    14   1    -0.01  -0.14  -0.00     0.03   0.01   0.17    -0.13   0.03  -0.04
    15   1     0.17   0.52   0.03     0.37  -0.13  -0.04    -0.24   0.06  -0.00
    16   1    -0.14   0.35  -0.22     0.07  -0.05  -0.16    -0.12   0.04   0.05
    17   1     0.32   0.21   0.23    -0.01  -0.02  -0.19    -0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    489.2637               539.5868               585.8708
 Red. masses --      3.5448                 3.7346                 2.7715
 Frc consts  --      0.4999                 0.6406                 0.5605
 IR Inten    --      7.6932                 4.0311                 3.5677
 RamAct Fr= 1--      1.6215                 6.3714                 1.8174
  Dep-P Fr= 1--      0.7299                 0.1716                 0.6910
  Dep-U Fr= 1--      0.8439                 0.2930                 0.8173
 Alpha2 Fr= 1--      0.0006                 0.0932                 0.0019
 Beta2  Fr= 1--      0.2280                 0.3111                 0.2476
 AlphaG Fr= 1--     -0.0039                 0.1227                 0.0323
 Gamma2 Fr= 1--     -0.0895                -0.3111                -0.2136
 Delta2 Fr= 1--      0.1340                 0.1303                 0.1276
 Raman1 Fr= 1--       6.486                 25.486                  7.270
 ROA1   Fr= 1--      -4.303                -25.700                -16.426
 CID1   Fr= 1--      -0.663                 -1.008                 -2.260
 Raman2 Fr= 1--       2.737                  3.734                  2.971
 ROA2   Fr= 1--      -3.220                 -8.509                 -6.148
 CID2   Fr= 1--      -1.177                 -2.279                 -2.070
 Raman3 Fr= 1--       5.473                  7.467                  5.941
 ROA3   Fr= 1--      -4.303                -25.700                -16.426
 CID3   Fr= 1--      -0.786                 -3.442                 -2.765
 RC180  Fr= 1--       0.688                 -0.414                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.03  -0.05  -0.03     0.18   0.08   0.05
     2   6     0.05   0.11  -0.10     0.16   0.03  -0.12    -0.03   0.07   0.03
     3   6    -0.03  -0.21   0.03    -0.04   0.00   0.04     0.17  -0.08   0.05
     4   6     0.04  -0.13   0.03    -0.19   0.04   0.19    -0.09  -0.10  -0.11
     5   6     0.17  -0.05   0.01    -0.03   0.15  -0.03    -0.05   0.03  -0.05
     6   1    -0.07  -0.32   0.00     0.08  -0.33  -0.11     0.42  -0.14  -0.04
     7   1    -0.15  -0.27  -0.03     0.05   0.40  -0.22     0.05   0.04  -0.17
     8   8    -0.11   0.25  -0.01    -0.17  -0.10  -0.06    -0.12  -0.08   0.04
     9   1     0.36  -0.19   0.18    -0.16   0.10   0.07     0.23  -0.13   0.14
    10   1     0.34   0.19   0.06     0.15   0.21  -0.04    -0.17   0.28   0.06
    11   1    -0.23   0.14   0.06    -0.06   0.09   0.14     0.04  -0.02  -0.28
    12   1    -0.05  -0.04   0.00     0.02  -0.22  -0.01     0.41   0.33  -0.01
    13   6    -0.02  -0.03   0.01     0.21  -0.04   0.04    -0.08   0.04  -0.01
    14   1     0.06   0.13  -0.10     0.28   0.01  -0.12    -0.06   0.16   0.04
    15   1    -0.20  -0.07   0.01     0.11  -0.03   0.04    -0.07   0.07  -0.01
    16   1     0.16  -0.15   0.14     0.26  -0.07   0.10    -0.09   0.05  -0.03
    17   1    -0.13  -0.08   0.04     0.22  -0.05   0.08    -0.07   0.04   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    728.5251               813.0151               846.7990
 Red. masses --      1.9441                 3.0333                 2.2085
 Frc consts  --      0.6079                 1.1813                 0.9331
 IR Inten    --      2.3210                 3.4007                 0.6577
 RamAct Fr= 1--      2.5262                13.9009                 5.2104
  Dep-P Fr= 1--      0.0698                 0.1152                 0.1348
  Dep-U Fr= 1--      0.1305                 0.2065                 0.2375
 Alpha2 Fr= 1--      0.0476                 0.2345                 0.0837
 Beta2  Fr= 1--      0.0549                 0.4785                 0.2063
 AlphaG Fr= 1--     -0.0744                -0.1264                -0.2375
 Gamma2 Fr= 1--     -0.3678                 0.9689                -0.5840
 Delta2 Fr= 1--     -0.3532                 0.0261                 0.1901
 Raman1 Fr= 1--      10.105                 55.604                 20.841
 ROA1   Fr= 1--     -46.608                 93.848                -49.985
 CID1   Fr= 1--      -4.612                  1.688                 -2.398
 Raman2 Fr= 1--       0.659                  5.742                  2.475
 ROA2   Fr= 1--      -6.000                 23.045                -15.537
 CID2   Fr= 1--      -9.101                  4.014                 -6.277
 Raman3 Fr= 1--       1.319                 11.483                  4.950
 ROA3   Fr= 1--     -46.608                 93.848                -49.985
 CID3   Fr= 1--     -35.347                  8.173                -10.097
 RC180  Fr= 1--      -0.739                 -0.587                 -0.525
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.04    -0.05   0.10   0.07     0.04   0.19   0.06
     2   6    -0.01  -0.07  -0.01    -0.02  -0.08  -0.07     0.01   0.01  -0.12
     3   6    -0.06  -0.08   0.10    -0.07   0.26   0.05     0.02  -0.05  -0.04
     4   6     0.08   0.07  -0.02    -0.04  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.10   0.05  -0.09     0.13  -0.23  -0.04    -0.15  -0.07   0.08
     6   1     0.20  -0.42  -0.08     0.25   0.09  -0.09    -0.02   0.12   0.03
     7   1    -0.30   0.09  -0.26    -0.22   0.41  -0.21    -0.15  -0.32   0.05
     8   8     0.11   0.04  -0.00    -0.04  -0.01   0.01     0.01  -0.01   0.01
     9   1    -0.18  -0.15   0.22     0.23  -0.40   0.18    -0.43   0.01  -0.00
    10   1    -0.24   0.39   0.05     0.22   0.07   0.05    -0.13  -0.21   0.03
    11   1    -0.25  -0.05  -0.23     0.00  -0.04  -0.14    -0.06   0.33   0.20
    12   1     0.15   0.20  -0.02     0.13   0.24   0.03     0.00   0.02   0.07
    13   6     0.04  -0.02   0.01     0.05  -0.03  -0.00     0.10  -0.03  -0.02
    14   1     0.07   0.01  -0.01    -0.05   0.03  -0.06    -0.18  -0.01  -0.12
    15   1     0.10   0.03   0.01    -0.11   0.04   0.01    -0.27   0.09  -0.00
    16   1    -0.06   0.05  -0.05     0.06  -0.01   0.08     0.18  -0.02   0.21
    17   1     0.13   0.00   0.02     0.17  -0.05   0.13     0.27  -0.08   0.23
                     13                     14                     15
                      A                      A                      A
 Frequencies --    893.0032               938.9536               953.0763
 Red. masses --      1.6298                 1.7363                 1.3845
 Frc consts  --      0.7658                 0.9019                 0.7410
 IR Inten    --      4.7625                 0.6940                 2.0220
 RamAct Fr= 1--      0.9427                 1.4945                 0.7846
  Dep-P Fr= 1--      0.3518                 0.5471                 0.4356
  Dep-U Fr= 1--      0.5205                 0.7073                 0.6068
 Alpha2 Fr= 1--      0.0082                 0.0058                 0.0051
 Beta2  Fr= 1--      0.0818                 0.1762                 0.0794
 AlphaG Fr= 1--      0.0608                -0.0218                 0.0651
 Gamma2 Fr= 1--      0.3611                -0.0074                -0.4453
 Delta2 Fr= 1--     -0.3453                 0.5183                -0.1254
 Raman1 Fr= 1--       3.771                  5.978                  3.138
 ROA1   Fr= 1--      23.615                 15.874                -46.757
 CID1   Fr= 1--       6.262                  2.655                -14.899
 Raman2 Fr= 1--       0.981                  2.114                  0.952
 ROA2   Fr= 1--      11.428                 -4.325                 -9.683
 CID2   Fr= 1--      11.646                 -2.046                -10.169
 Raman3 Fr= 1--       1.963                  4.228                  1.904
 ROA3   Fr= 1--      23.615                 15.874                -46.757
 CID3   Fr= 1--      12.032                  3.754                -24.552
 RC180  Fr= 1--       0.041                  0.415                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.09   0.05    -0.07  -0.07  -0.06    -0.04  -0.08   0.07
     2   6     0.01  -0.02  -0.03     0.01   0.11  -0.01    -0.00   0.04   0.00
     3   6    -0.06  -0.03   0.02     0.06   0.02   0.06     0.04  -0.01  -0.09
     4   6    -0.03   0.06  -0.08     0.00   0.02  -0.05    -0.00   0.02   0.07
     5   6     0.09   0.09   0.10    -0.06  -0.10   0.04    -0.03  -0.02  -0.04
     6   1     0.30   0.14  -0.02     0.22  -0.04  -0.00    -0.07   0.26   0.03
     7   1    -0.23  -0.06  -0.10     0.13   0.23  -0.06     0.21  -0.12   0.15
     8   8    -0.01  -0.00   0.01     0.02  -0.01   0.01     0.01  -0.01  -0.01
     9   1     0.04   0.34  -0.26    -0.06  -0.08   0.01    -0.29  -0.13   0.16
    10   1     0.08  -0.33  -0.04    -0.28  -0.11   0.07     0.25   0.15  -0.02
    11   1    -0.23  -0.14  -0.27    -0.18   0.02  -0.01    -0.06  -0.29  -0.32
    12   1     0.32   0.12  -0.03     0.05  -0.16  -0.08    -0.05   0.40   0.04
    13   6     0.01  -0.00  -0.04     0.05   0.10   0.01     0.03   0.01  -0.01
    14   1    -0.22  -0.06  -0.03    -0.05  -0.06  -0.02    -0.03   0.44   0.03
    15   1    -0.29   0.07  -0.02    -0.07  -0.21  -0.01    -0.12   0.02  -0.01
    16   1     0.09  -0.01   0.15     0.49  -0.28   0.15     0.14  -0.05   0.09
    17   1     0.09  -0.05   0.14    -0.48  -0.03  -0.11    -0.01  -0.04   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0357              1007.7734              1085.6066
 Red. masses --      1.7890                 1.2097                 2.6980
 Frc consts  --      1.0562                 0.7239                 1.8734
 IR Inten    --      2.3278                 1.1242                14.4784
 RamAct Fr= 1--      4.6421                 1.7764                 2.6234
  Dep-P Fr= 1--      0.4768                 0.3784                 0.7500
  Dep-U Fr= 1--      0.6457                 0.5491                 0.8571
 Alpha2 Fr= 1--      0.0254                 0.0142                 0.0000
 Beta2  Fr= 1--      0.4995                 0.1626                 0.3748
 AlphaG Fr= 1--      0.0412                -0.1674                 0.0005
 Gamma2 Fr= 1--     -0.6240                -0.6406                -0.4316
 Delta2 Fr= 1--      0.1336                 1.4089                 0.3302
 Raman1 Fr= 1--      18.568                  7.106                 10.493
 ROA1   Fr= 1--     -55.627                -16.415                -30.864
 CID1   Fr= 1--      -2.996                 -2.310                 -2.941
 Raman2 Fr= 1--       5.995                  1.951                  4.497
 ROA2   Fr= 1--     -16.044                -26.646                -12.999
 CID2   Fr= 1--      -2.676                -13.659                 -2.891
 Raman3 Fr= 1--      11.989                  3.902                  8.994
 ROA3   Fr= 1--     -55.627                -16.415                -30.864
 CID3   Fr= 1--      -4.640                 -4.207                 -3.432
 RC180  Fr= 1--       0.291                  0.098                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.04  -0.01     0.04   0.01   0.03     0.04   0.03   0.04
     2   6     0.00  -0.04  -0.03     0.04   0.00  -0.05     0.26  -0.09   0.05
     3   6     0.17  -0.02   0.01    -0.04   0.01  -0.02    -0.03  -0.05  -0.00
     4   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.06   0.14  -0.01
     5   6     0.02   0.02   0.02    -0.01  -0.03   0.03     0.06  -0.08   0.01
     6   1     0.34   0.22   0.06     0.19   0.22  -0.00    -0.25  -0.15   0.01
     7   1     0.36   0.10   0.07    -0.28  -0.21  -0.04     0.17   0.11   0.03
     8   8    -0.01  -0.02   0.00    -0.01  -0.00   0.00    -0.01  -0.02   0.00
     9   1    -0.02   0.06  -0.03    -0.34  -0.03   0.06    -0.18  -0.11   0.08
    10   1     0.14  -0.05  -0.02     0.30  -0.05  -0.03    -0.29  -0.05   0.07
    11   1    -0.56   0.28   0.02    -0.06   0.03  -0.03    -0.20   0.19   0.07
    12   1    -0.14   0.05  -0.01     0.28  -0.06  -0.02    -0.21   0.25   0.08
    13   6    -0.02  -0.05   0.02    -0.05   0.04   0.06    -0.14   0.06  -0.11
    14   1     0.11  -0.12  -0.03     0.39  -0.06  -0.04     0.34  -0.05   0.05
    15   1     0.16   0.04   0.02     0.34  -0.13   0.03    -0.44   0.09  -0.11
    16   1    -0.24   0.11  -0.13    -0.09  -0.03  -0.20    -0.07   0.04   0.04
    17   1     0.17   0.03  -0.02    -0.27   0.09  -0.24    -0.18  -0.01   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1149.8992              1161.7118              1173.7216
 Red. masses --      2.1147                 3.0108                 1.5625
 Frc consts  --      1.6475                 2.3940                 1.2683
 IR Inten    --      1.5556                57.5608                 6.6993
 RamAct Fr= 1--      2.2658                 2.4159                 1.2503
  Dep-P Fr= 1--      0.7434                 0.7029                 0.7092
  Dep-U Fr= 1--      0.8528                 0.8255                 0.8299
 Alpha2 Fr= 1--      0.0003                 0.0020                 0.0009
 Beta2  Fr= 1--      0.3221                 0.3324                 0.1729
 AlphaG Fr= 1--     -0.0031                 0.0003                 0.0021
 Gamma2 Fr= 1--     -0.9514                 0.8890                -1.1604
 Delta2 Fr= 1--      0.2145                -0.0883                 0.2785
 Raman1 Fr= 1--       9.063                  9.663                  5.001
 ROA1   Fr= 1--     -84.476                 82.519               -102.485
 CID1   Fr= 1--      -9.321                  8.539                -20.492
 Raman2 Fr= 1--       3.865                  3.989                  2.075
 ROA2   Fr= 1--     -24.550                 22.042                -30.078
 CID2   Fr= 1--      -6.352                  5.526                -14.495
 Raman3 Fr= 1--       7.730                  7.977                  4.150
 ROA3   Fr= 1--     -84.476                 82.519               -102.485
 CID3   Fr= 1--     -10.929                 10.344                -24.694
 RC180  Fr= 1--       0.706                  0.651                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.05     0.08   0.02  -0.03     0.06  -0.04   0.01
     2   6     0.08   0.17  -0.00    -0.13   0.04  -0.02    -0.01   0.06   0.02
     3   6    -0.08   0.04   0.03     0.01  -0.13   0.04    -0.06  -0.02  -0.09
     4   6     0.04  -0.08  -0.07    -0.11   0.28  -0.11    -0.02   0.07   0.12
     5   6    -0.07  -0.06   0.09     0.04  -0.13   0.04    -0.03  -0.06  -0.05
     6   1     0.01  -0.06  -0.03    -0.27  -0.33   0.03     0.08   0.32  -0.00
     7   1     0.16   0.37  -0.04     0.11   0.04  -0.02     0.01  -0.11   0.05
     8   8     0.02   0.02   0.01     0.03  -0.04   0.02     0.03  -0.00  -0.02
     9   1    -0.12   0.01  -0.01     0.06  -0.10  -0.01     0.53  -0.14  -0.00
    10   1    -0.04  -0.17   0.04     0.56  -0.05  -0.02    -0.27   0.07   0.04
    11   1    -0.10   0.01  -0.02    -0.01   0.13   0.09    -0.44   0.26   0.02
    12   1     0.05  -0.05  -0.05    -0.15  -0.01   0.02     0.36  -0.15  -0.04
    13   6    -0.04  -0.11  -0.01     0.04  -0.03   0.07     0.00  -0.02   0.00
    14   1     0.20   0.47   0.02    -0.19   0.34  -0.01    -0.09  -0.11   0.01
    15   1     0.05   0.24   0.01     0.28  -0.03   0.06     0.02   0.04   0.01
    16   1    -0.38   0.21  -0.08    -0.04  -0.00  -0.06    -0.06   0.04   0.00
    17   1     0.38   0.02   0.05     0.09   0.03  -0.03     0.09   0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1224.2581              1255.4362              1269.5278
 Red. masses --      1.6254                 1.4809                 1.5134
 Frc consts  --      1.4353                 1.3752                 1.4371
 IR Inten    --      1.2887                 0.2313                 7.1775
 RamAct Fr= 1--      1.9726                 5.0808                 0.6453
  Dep-P Fr= 1--      0.5238                 0.7206                 0.4455
  Dep-U Fr= 1--      0.6875                 0.8376                 0.6164
 Alpha2 Fr= 1--      0.0087                 0.0026                 0.0040
 Beta2  Fr= 1--      0.2260                 0.7093                 0.0663
 AlphaG Fr= 1--      0.0359                 0.0072                 0.0138
 Gamma2 Fr= 1--     -1.5318                 1.0018                -0.4469
 Delta2 Fr= 1--     -0.7199                 0.1695                -0.4607
 Raman1 Fr= 1--       7.891                 20.323                  2.581
 ROA1   Fr= 1--    -170.086                101.593                -57.646
 CID1   Fr= 1--     -21.556                  4.999                -22.335
 Raman2 Fr= 1--       2.712                  8.511                  0.795
 ROA2   Fr= 1--     -31.004                 22.686                 -7.041
 CID2   Fr= 1--     -11.431                  2.665                 -8.852
 Raman3 Fr= 1--       5.425                 17.023                  1.591
 ROA3   Fr= 1--    -170.086                101.593                -57.646
 CID3   Fr= 1--     -31.354                  5.968                -36.235
 RC180  Fr= 1--       0.375                  0.675                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.13     0.07   0.02   0.00    -0.02   0.02  -0.03
     2   6     0.01   0.02   0.15    -0.05  -0.04   0.08    -0.02   0.05  -0.00
     3   6     0.02  -0.01   0.05    -0.11  -0.05  -0.02    -0.00  -0.04  -0.01
     4   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.02   0.03   0.03
     5   6    -0.02  -0.02  -0.04     0.02   0.03  -0.05     0.18  -0.02  -0.03
     6   1     0.43   0.21   0.03     0.06   0.15   0.01     0.13   0.13   0.02
     7   1    -0.38  -0.27  -0.07     0.41   0.45   0.01     0.00  -0.04  -0.00
     8   8    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.03  -0.01  -0.00
     9   1    -0.11  -0.10   0.09    -0.37  -0.02   0.08    -0.59  -0.04   0.09
    10   1     0.35   0.10  -0.05     0.35   0.11  -0.07    -0.60   0.03   0.11
    11   1     0.13   0.05   0.12    -0.23   0.25   0.11     0.14  -0.06  -0.00
    12   1    -0.11  -0.25  -0.10     0.14  -0.08   0.00     0.11  -0.17  -0.04
    13   6     0.00  -0.02  -0.08     0.02   0.03  -0.02    -0.00  -0.04   0.03
    14   1     0.10   0.09   0.15    -0.21  -0.19   0.07    -0.28   0.11  -0.00
    15   1    -0.28   0.13  -0.06    -0.07  -0.04  -0.01     0.11   0.03   0.03
    16   1     0.00   0.07   0.15     0.09  -0.02   0.07    -0.11   0.04  -0.05
    17   1     0.10  -0.08   0.15    -0.08  -0.03   0.05     0.07   0.02  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1306.2423              1322.2091              1349.7942
 Red. masses --      1.3296                 1.3833                 1.3208
 Frc consts  --      1.3366                 1.4248                 1.4178
 IR Inten    --      2.2960                 3.5079                 2.0346
 RamAct Fr= 1--      3.1167                 0.7600                 5.2116
  Dep-P Fr= 1--      0.7498                 0.7487                 0.7491
  Dep-U Fr= 1--      0.8570                 0.8563                 0.8566
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.4452                 0.1085                 0.7440
 AlphaG Fr= 1--      0.0016                 0.0002                -0.0060
 Gamma2 Fr= 1--     -3.6078                -0.0348                -0.9776
 Delta2 Fr= 1--     -1.1468                -0.5927                 1.0573
 Raman1 Fr= 1--      12.467                  3.040                 20.846
 ROA1   Fr= 1--    -383.043                -22.305                -60.010
 CID1   Fr= 1--     -30.725                 -7.337                 -2.879
 Raman2 Fr= 1--       5.342                  1.302                  8.928
 ROA2   Fr= 1--     -77.412                  3.908                -31.920
 CID2   Fr= 1--     -14.491                  3.002                 -3.575
 Raman3 Fr= 1--      10.684                  2.603                 17.856
 ROA3   Fr= 1--    -383.043                -22.305                -60.010
 CID3   Fr= 1--     -35.851                 -8.568                 -3.361
 RC180  Fr= 1--       0.714                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.02    -0.11   0.08   0.05    -0.01   0.05  -0.03
     2   6     0.01  -0.01  -0.06    -0.02   0.05   0.02    -0.04  -0.14   0.00
     3   6    -0.09  -0.10   0.03    -0.01  -0.07  -0.03    -0.01  -0.02  -0.01
     4   6    -0.00   0.02   0.03    -0.02   0.04  -0.01     0.00  -0.02   0.01
     5   6    -0.03  -0.01   0.01    -0.01  -0.02   0.01     0.01   0.03   0.03
     6   1     0.50   0.41   0.07    -0.07  -0.00   0.01     0.00   0.07   0.01
     7   1     0.15   0.21  -0.03     0.29   0.14   0.04     0.06   0.08  -0.03
     8   8     0.02   0.01  -0.01     0.01  -0.00   0.00     0.00   0.01  -0.00
     9   1     0.24   0.01  -0.04     0.07  -0.01  -0.01     0.15   0.06  -0.02
    10   1    -0.10  -0.04   0.01     0.06  -0.02   0.00    -0.15  -0.08   0.02
    11   1     0.35  -0.14   0.01     0.40  -0.31  -0.11    -0.05   0.11   0.04
    12   1    -0.44   0.24   0.06     0.47  -0.27  -0.04     0.23  -0.27  -0.06
    13   6    -0.01   0.01   0.02    -0.00  -0.02  -0.05     0.01   0.04  -0.01
    14   1     0.04   0.02  -0.06     0.41  -0.27   0.00     0.24   0.81   0.06
    15   1     0.05  -0.03   0.01    -0.05   0.06  -0.03    -0.04  -0.14  -0.02
    16   1     0.02  -0.04  -0.05     0.04   0.01   0.09     0.08  -0.05  -0.03
    17   1    -0.02   0.03  -0.06     0.12  -0.03   0.09    -0.08  -0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1386.8413              1416.8470              1450.1610
 Red. masses --      1.5337                 1.2493                 1.0910
 Frc consts  --      1.7380                 1.4776                 1.3517
 IR Inten    --      4.6972                 4.0681                16.6473
 RamAct Fr= 1--      3.0919                 0.2126                 1.6563
  Dep-P Fr= 1--      0.7022                 0.2121                 0.7446
  Dep-U Fr= 1--      0.8251                 0.3500                 0.8536
 Alpha2 Fr= 1--      0.0026                 0.0028                 0.0002
 Beta2  Fr= 1--      0.4252                 0.0124                 0.2356
 AlphaG Fr= 1--     -0.0040                 0.0175                -0.0036
 Gamma2 Fr= 1--     -0.6689                 0.0175                -0.3127
 Delta2 Fr= 1--      0.1722                 0.0453                 0.1693
 Raman1 Fr= 1--      12.368                  0.850                  6.625
 ROA1   Fr= 1--     -58.703                  3.124                -24.600
 CID1   Fr= 1--      -4.747                  3.674                 -3.713
 Raman2 Fr= 1--       5.102                  0.149                  2.828
 ROA2   Fr= 1--     -17.431                  0.057                 -8.859
 CID2   Fr= 1--      -3.417                  0.382                 -3.133
 Raman3 Fr= 1--      10.204                  0.298                  5.655
 ROA3   Fr= 1--     -58.703                  3.124                -24.600
 CID3   Fr= 1--      -5.753                 10.498                 -4.350
 RC180  Fr= 1--       0.650                 -0.300                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.04   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.18   0.03  -0.01     0.02  -0.01   0.01     0.02  -0.01   0.00
     3   6    -0.01   0.02  -0.00    -0.00   0.01   0.00     0.02  -0.02   0.00
     4   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
     5   6     0.07  -0.01   0.02     0.00  -0.00  -0.00    -0.01  -0.07   0.02
     6   1     0.04  -0.04  -0.03     0.01   0.00  -0.00    -0.18   0.18   0.11
     7   1    -0.02  -0.05   0.05    -0.03  -0.01  -0.00    -0.11   0.12  -0.22
     8   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.14   0.10  -0.10    -0.02   0.02  -0.03    -0.05   0.35  -0.54
    10   1    -0.22   0.08   0.09     0.00   0.04   0.01     0.04   0.60   0.22
    11   1    -0.19   0.10   0.00    -0.03   0.01  -0.00     0.03   0.00   0.04
    12   1    -0.26   0.18   0.06    -0.03  -0.00  -0.00     0.06   0.02  -0.01
    13   6     0.04  -0.00  -0.05    -0.13   0.04  -0.04     0.00  -0.00   0.00
    14   1     0.78  -0.15  -0.00    -0.06   0.01   0.01    -0.05   0.02   0.00
    15   1    -0.05  -0.00  -0.04     0.56  -0.13  -0.05    -0.01  -0.01   0.00
    16   1     0.09   0.01   0.14     0.38  -0.33   0.26    -0.04   0.03  -0.01
    17   1     0.06  -0.08   0.14     0.48   0.08   0.28    -0.04  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1453.9407              1496.2972              1499.7307
 Red. masses --      1.0894                 1.0556                 1.0530
 Frc consts  --      1.3569                 1.3925                 1.3954
 IR Inten    --      3.3123                 1.9298                 5.6881
 RamAct Fr= 1--      9.5866                 3.1529                 4.6141
  Dep-P Fr= 1--      0.6619                 0.7139                 0.6855
  Dep-U Fr= 1--      0.7966                 0.8330                 0.8134
 Alpha2 Fr= 1--      0.0151                 0.0020                 0.0052
 Beta2  Fr= 1--      1.2727                 0.4378                 0.6255
 AlphaG Fr= 1--     -0.0763                -0.0137                -0.0008
 Gamma2 Fr= 1--      1.5901                 0.0291                 0.2992
 Delta2 Fr= 1--     -0.5975                -0.1823                -0.7663
 Raman1 Fr= 1--      38.347                 12.612                 18.456
 ROA1   Fr= 1--     133.531                 -3.038                  4.202
 CID1   Fr= 1--       3.482                 -0.241                  0.228
 Raman2 Fr= 1--      15.273                  5.253                  7.506
 ROA2   Fr= 1--      42.943                  2.157                 13.312
 CID2   Fr= 1--       2.812                  0.411                  1.773
 Raman3 Fr= 1--      30.546                 10.506                 15.012
 ROA3   Fr= 1--     133.531                 -3.038                  4.202
 CID3   Fr= 1--       4.371                 -0.289                  0.280
 RC180  Fr= 1--       0.593                  0.666                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.01   0.02   0.01     0.02   0.02   0.02
     2   6     0.02  -0.01  -0.00     0.00  -0.03  -0.01     0.02   0.01  -0.02
     3   6    -0.06   0.04  -0.02    -0.01   0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.03   0.01    -0.00   0.00   0.00    -0.01  -0.00   0.00
     6   1     0.42  -0.40  -0.26     0.03  -0.02  -0.02     0.03  -0.02  -0.02
     7   1     0.27  -0.28   0.51     0.03  -0.01   0.04     0.01  -0.02   0.03
     8   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.02   0.14  -0.22     0.02   0.03  -0.03     0.02   0.00  -0.01
    10   1     0.03   0.23   0.09    -0.01   0.03   0.01     0.00   0.00   0.00
    11   1     0.07   0.03   0.11    -0.06  -0.02  -0.14    -0.06  -0.09  -0.25
    12   1     0.10   0.07  -0.03    -0.07  -0.14   0.03    -0.16  -0.21   0.05
    13   6    -0.00   0.00   0.01    -0.01  -0.05  -0.02     0.02   0.02  -0.04
    14   1    -0.06   0.06   0.00    -0.01   0.07  -0.00    -0.08  -0.01  -0.02
    15   1    -0.01  -0.03   0.00     0.26   0.61   0.03     0.28  -0.32  -0.05
    16   1    -0.01  -0.00  -0.04     0.09   0.10   0.55    -0.27   0.37   0.19
    17   1    -0.01   0.00  -0.00    -0.26   0.03  -0.33    -0.31  -0.31   0.47
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1505.1046              1816.0933              2998.1861
 Red. masses --      1.0821                12.5633                 1.0812
 Frc consts  --      1.4442                24.4134                 5.7261
 IR Inten    --      7.6336               270.7608                 5.8995
 RamAct Fr= 1--      7.7287                16.9910               221.9883
  Dep-P Fr= 1--      0.7445                 0.6154                 0.2083
  Dep-U Fr= 1--      0.8535                 0.7619                 0.3448
 Alpha2 Fr= 1--      0.0007                 0.0420                 2.9488
 Beta2  Fr= 1--      1.0995                 2.1576                12.7562
 AlphaG Fr= 1--     -0.0023                -0.3359                 1.2547
 Gamma2 Fr= 1--     -0.1333                -5.1023                -9.6248
 Delta2 Fr= 1--      1.0474                -1.1026                -7.2592
 Raman1 Fr= 1--      30.915                 67.964                887.953
 ROA1   Fr= 1--      20.718               -525.100              -1156.276
 CID1   Fr= 1--       0.670                 -7.726                 -1.302
 Raman2 Fr= 1--      13.193                 25.891                153.075
 ROA2   Fr= 1--     -11.579               -113.634               -172.922
 CID2   Fr= 1--      -0.878                 -4.389                 -1.130
 Raman3 Fr= 1--      26.387                 51.782                306.150
 ROA3   Fr= 1--      20.718               -525.100              -1156.276
 CID3   Fr= 1--       0.785                -10.141                 -3.777
 RC180  Fr= 1--       0.707                  0.524                 -0.310
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.03    -0.02  -0.01   0.00     0.00  -0.00   0.02
     2   6    -0.01  -0.01  -0.01    -0.03  -0.00  -0.00     0.00   0.00  -0.07
     3   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.76   0.30  -0.03    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.01   0.03
     6   1    -0.04   0.04   0.03     0.02   0.03  -0.00     0.00   0.00  -0.00
     7   1    -0.02   0.02  -0.06     0.10   0.11  -0.01    -0.01   0.01   0.01
     8   8     0.00   0.00  -0.00    -0.49  -0.20   0.02     0.00  -0.00  -0.00
     9   1     0.02  -0.04   0.07     0.15  -0.01  -0.00     0.01   0.01   0.02
    10   1    -0.03  -0.09  -0.03     0.02  -0.01   0.00    -0.06   0.11  -0.33
    11   1     0.21   0.15   0.55    -0.02  -0.02   0.01     0.01   0.01  -0.00
    12   1     0.33   0.51  -0.11     0.03   0.01  -0.01    -0.04  -0.01  -0.20
    13   6     0.01  -0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00   0.01
    14   1    -0.00   0.02  -0.01     0.04   0.01   0.00    -0.01  -0.05   0.90
    15   1     0.21   0.02  -0.02    -0.00  -0.00   0.00    -0.00   0.01  -0.10
    16   1    -0.08   0.18   0.25    -0.00   0.00   0.00     0.02   0.03  -0.01
    17   1    -0.19  -0.13   0.14    -0.00  -0.00   0.00     0.01  -0.04  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3015.0734              3022.2460              3027.8181
 Red. masses --      1.0698                 1.0426                 1.0652
 Frc consts  --      5.7302                 5.6107                 5.7537
 IR Inten    --     12.0131                16.1487                20.5116
 RamAct Fr= 1--     18.0985                61.5850               327.0054
  Dep-P Fr= 1--      0.5144                 0.0553                 0.0229
  Dep-U Fr= 1--      0.6793                 0.1048                 0.0448
 Alpha2 Fr= 1--      0.0834                 1.2012                 6.8868
 Beta2  Fr= 1--      2.0491                 1.0756                 2.4428
 AlphaG Fr= 1--      0.1605                -0.0075                 1.2661
 Gamma2 Fr= 1--     14.1708                -1.9003               -10.1406
 Delta2 Fr= 1--     12.4018                -0.2447                -1.4928
 Raman1 Fr= 1--      72.394                246.340               1308.022
 ROA1   Fr= 1--    1757.252               -190.262              -1021.266
 CID1   Fr= 1--      24.273                 -0.772                 -0.781
 Raman2 Fr= 1--      24.589                 12.907                 29.314
 ROA2   Fr= 1--     240.885                -43.650               -231.432
 CID2   Fr= 1--       9.796                 -3.382                 -7.895
 Raman3 Fr= 1--      49.179                 25.815                 58.627
 ROA3   Fr= 1--    1757.252               -190.262              -1021.266
 CID3   Fr= 1--      35.732                 -7.370                -17.420
 RC180  Fr= 1--       0.359                 -0.790                 -0.910
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.01   0.01   0.03    -0.02  -0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00   0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.04
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01   0.04  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     6   1     0.01  -0.02   0.05     0.03  -0.05   0.14    -0.11   0.17  -0.50
     7   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.05   0.04   0.07
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.02  -0.17  -0.15     0.00   0.01   0.01    -0.01  -0.05  -0.04
    10   1     0.13  -0.27   0.82    -0.00   0.00  -0.01     0.03  -0.07   0.20
    11   1    -0.02  -0.04   0.03    -0.06  -0.09   0.06     0.07   0.13  -0.09
    12   1    -0.05  -0.01  -0.28    -0.07  -0.01  -0.39     0.11   0.03   0.61
    13   6     0.00  -0.00   0.01    -0.04   0.01  -0.02    -0.02   0.00  -0.01
    14   1    -0.00  -0.02   0.27    -0.00   0.00  -0.06    -0.00  -0.01   0.22
    15   1     0.00   0.01  -0.11    -0.00  -0.04   0.61     0.00  -0.02   0.24
    16   1    -0.02  -0.02   0.01     0.31   0.34  -0.14     0.17   0.19  -0.07
    17   1    -0.01   0.04   0.02     0.12  -0.39  -0.18     0.07  -0.22  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3033.7885              3081.9646              3088.8540
 Red. masses --      1.0647                 1.1002                 1.0966
 Frc consts  --      5.7735                 6.1571                 6.1645
 IR Inten    --     38.6328                20.2723                52.7275
 RamAct Fr= 1--     27.9036                30.6911               153.1353
  Dep-P Fr= 1--      0.6743                 0.7419                 0.3421
  Dep-U Fr= 1--      0.8055                 0.8518                 0.5098
 Alpha2 Fr= 1--      0.0374                 0.0042                 1.3788
 Beta2  Fr= 1--      3.7458                 4.3573                13.0125
 AlphaG Fr= 1--      0.1106                -0.0283                -1.1308
 Gamma2 Fr= 1--     -2.7721               -16.5593                 6.7047
 Delta2 Fr= 1--     -7.3090               -11.0752                 3.2451
 Raman1 Fr= 1--     111.615                122.764                612.541
 ROA1   Fr= 1--    -500.010              -1944.099                747.492
 CID1   Fr= 1--      -4.480                -15.836                  1.220
 Raman2 Fr= 1--      44.950                 52.287                156.150
 ROA2   Fr= 1--      -8.058               -308.821                134.951
 CID2   Fr= 1--      -0.179                 -5.906                  0.864
 Raman3 Fr= 1--      89.900                104.575                312.300
 ROA3   Fr= 1--    -500.010              -1944.099                747.492
 CID3   Fr= 1--      -5.562                -18.591                  2.394
 RC180  Fr= 1--       0.611                  0.704                  0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03    -0.01  -0.02   0.02    -0.03  -0.05   0.05
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   6    -0.03   0.03  -0.04     0.00  -0.00   0.00     0.01  -0.01  -0.01
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     6   1     0.16  -0.24   0.71    -0.01   0.01  -0.03    -0.01   0.02  -0.05
     7   1     0.14  -0.14  -0.19    -0.02   0.02   0.03    -0.10   0.10   0.12
     8   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.03  -0.03    -0.00  -0.05  -0.04     0.01   0.08   0.06
    10   1     0.01  -0.03   0.08    -0.00  -0.00   0.00     0.00  -0.00   0.01
    11   1     0.12   0.21  -0.13     0.16   0.27  -0.15     0.37   0.65  -0.36
    12   1     0.08   0.02   0.45    -0.02  -0.01  -0.08    -0.05  -0.02  -0.26
    13   6    -0.01   0.00   0.00     0.04   0.02  -0.08    -0.02  -0.03   0.02
    14   1    -0.00  -0.01   0.14     0.00  -0.01   0.09     0.00   0.01  -0.11
    15   1     0.00  -0.00   0.05     0.01  -0.05   0.67    -0.01   0.01  -0.20
    16   1     0.05   0.06  -0.02    -0.37  -0.39   0.14     0.23   0.24  -0.09
    17   1     0.02  -0.08  -0.03    -0.07   0.26   0.09    -0.03   0.08   0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3089.5449              3102.4258              3103.9334
 Red. masses --      1.1014                 1.0926                 1.0949
 Frc consts  --      6.1939                 6.1961                 6.2149
 IR Inten    --     18.5267                13.5962                13.9656
 RamAct Fr= 1--     79.7084               116.2156               106.5873
  Dep-P Fr= 1--      0.6273                 0.2817                 0.4202
  Dep-U Fr= 1--      0.7710                 0.4396                 0.5917
 Alpha2 Fr= 1--      0.1781                 1.2582                 0.7334
 Beta2  Fr= 1--     10.2423                 8.5140                10.5120
 AlphaG Fr= 1--     -0.3239                -0.8375                -0.4405
 Gamma2 Fr= 1--     -1.8443                 8.3648                16.8536
 Delta2 Fr= 1--      1.9559                -1.9148                 9.6219
 Raman1 Fr= 1--     318.834                464.863                426.349
 ROA1   Fr= 1--    -114.460                741.747               1925.852
 CID1   Fr= 1--      -0.359                  1.596                  4.517
 Raman2 Fr= 1--     122.907                102.168                126.144
 ROA2   Fr= 1--     -59.910                216.073                327.512
 CID2   Fr= 1--      -0.487                  2.115                  2.596
 Raman3 Fr= 1--     245.814                204.337                252.288
 ROA3   Fr= 1--    -114.460                741.747               1925.852
 CID3   Fr= 1--      -0.466                  3.630                  7.634
 RC180  Fr= 1--       0.542                 -0.121                  0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01     0.00   0.00  -0.01     0.00   0.01  -0.02
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04  -0.04  -0.07
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.06  -0.06     0.00   0.00   0.00
     6   1     0.00  -0.00   0.01     0.01  -0.01   0.02     0.07  -0.10   0.24
     7   1     0.04  -0.03  -0.04    -0.01   0.01   0.01    -0.51   0.51   0.60
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.05  -0.03     0.07   0.78   0.55    -0.00  -0.04  -0.03
    10   1    -0.00   0.00  -0.01     0.03  -0.08   0.20    -0.00  -0.00   0.00
    11   1    -0.09  -0.16   0.09    -0.03  -0.05   0.03    -0.06  -0.11   0.06
    12   1     0.01   0.01   0.08     0.01   0.00   0.03     0.03   0.01   0.13
    13   6    -0.01  -0.08  -0.03     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.06    -0.00  -0.01   0.09    -0.00  -0.00   0.02
    15   1    -0.00  -0.03   0.19     0.00  -0.01   0.07     0.00  -0.00   0.02
    16   1     0.34   0.34  -0.15    -0.03  -0.03   0.01    -0.00  -0.00   0.00
    17   1    -0.23   0.70   0.31    -0.02   0.05   0.02    -0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   331.66288 924.196891179.12879
           X            0.99943  -0.03343   0.00480
           Y            0.03344   0.99944  -0.00209
           Z           -0.00472   0.00225   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.26115     0.09372     0.07346
 Rotational constants (GHZ):           5.44149     1.95277     1.53057
 Zero-point vibrational energy     390822.0 (Joules/Mol)
                                   93.40870 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.68   247.59   347.64   405.47   594.38
          (Kelvin)            664.11   703.94   776.35   842.94  1048.19
                             1169.75  1218.35  1284.83  1350.94  1371.26
                             1440.27  1449.96  1561.95  1654.45  1671.44
                             1688.72  1761.43  1806.29  1826.57  1879.39
                             1902.36  1942.05  1995.36  2038.53  2086.46
                             2091.90  2152.84  2157.78  2165.51  2612.95
                             4313.72  4338.02  4348.34  4356.35  4364.94
                             4434.26  4444.17  4445.17  4463.70  4465.87
 
 Zero-point correction=                           0.148856 (Hartree/Particle)
 Thermal correction to Energy=                    0.155806
 Thermal correction to Enthalpy=                  0.156750
 Thermal correction to Gibbs Free Energy=         0.117972
 Sum of electronic and zero-point Energies=           -309.886564
 Sum of electronic and thermal Energies=              -309.879614
 Sum of electronic and thermal Enthalpies=            -309.878670
 Sum of electronic and thermal Free Energies=         -309.917447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.770             26.230             81.615
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.382
 Vibrational             95.992             20.268             14.572
 Vibration     1          0.601              1.959              3.750
 Vibration     2          0.626              1.877              2.413
 Vibration     3          0.658              1.777              1.791
 Vibration     4          0.681              1.707              1.523
 Vibration     5          0.777              1.442              0.916
 Vibration     6          0.819              1.335              0.762
 Vibration     7          0.845              1.274              0.686
 Vibration     8          0.895              1.163              0.566
 Vibration     9          0.943              1.062              0.475
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.545147D-54        -54.263487       -124.946295
 Total V=0       0.160535D+15         14.205569         32.709531
 Vib (Bot)       0.663556D-67        -67.178123       -154.683344
 Vib (Bot)    1  0.239341D+01          0.379017          0.872718
 Vib (Bot)    2  0.117031D+01          0.068300          0.157266
 Vib (Bot)    3  0.810930D+00         -0.091017         -0.209574
 Vib (Bot)    4  0.681569D+00         -0.166490         -0.383358
 Vib (Bot)    5  0.427264D+00         -0.369303         -0.850353
 Vib (Bot)    6  0.368006D+00         -0.434145         -0.999655
 Vib (Bot)    7  0.339106D+00         -0.469665         -1.081443
 Vib (Bot)    8  0.293737D+00         -0.532041         -1.225071
 Vib (Bot)    9  0.258564D+00         -0.587432         -1.352613
 Vib (V=0)       0.195404D+02          1.290933          2.972483
 Vib (V=0)    1  0.294508D+01          0.469097          1.080135
 Vib (V=0)    2  0.177264D+01          0.248621          0.572471
 Vib (V=0)    3  0.145268D+01          0.162171          0.373413
 Vib (V=0)    4  0.134530D+01          0.128820          0.296619
 Vib (V=0)    5  0.115769D+01          0.063592          0.146426
 Vib (V=0)    6  0.112083D+01          0.049539          0.114069
 Vib (V=0)    7  0.110415D+01          0.043027          0.099073
 Vib (V=0)    8  0.107990D+01          0.033383          0.076866
 Vib (V=0)    9  0.106290D+01          0.026492          0.061000
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.215207D+06          5.332857         12.279357
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 3333333332                                               1          11111 11111111111  1  11                                        
 1100000009                                               8          55444 43333222111  0  0099 8 88   7     55 4 4 4    2 2 1       
 0098832219                                               1          00955 18520752765  8  0053 9 41   2     84 8 6 1    8 4 7   8   
 4209248258                                               6          50640 77026054420  6  8139 3 73   9     60 9 2 3    2 2 2   6   
 
 XXXXXXXXXX                                               X          XXXXX XXXXXXXXXXX  X  XXXX X XX   X     XX X X X    X X X   X   
    X XX                                                  X                         X                                                
    X X                                                   X                         X                                                
    X                                                     X                         X                                                
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
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                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007445    0.000005124   -0.000000213
      2        6          -0.000000856   -0.000063105   -0.000010563
      3        6          -0.000009791    0.000018613    0.000004756
      4        6           0.000014744   -0.000002382   -0.000007730
      5        6          -0.000004478    0.000013509    0.000009179
      6        1           0.000001435   -0.000000762    0.000002438
      7        1          -0.000002099   -0.000002148    0.000002827
      8        8          -0.000000773   -0.000002159   -0.000001080
      9        1           0.000002619    0.000001002   -0.000003367
     10        1           0.000002731    0.000003498   -0.000001570
     11        1          -0.000004277    0.000003381    0.000003465
     12        1          -0.000002748    0.000009876    0.000004963
     13        6           0.000001156    0.000004970    0.000003764
     14        1           0.000005025    0.000001037   -0.000000318
     15        1          -0.000004602    0.000002223   -0.000004485
     16        1          -0.000006729    0.000004905    0.000000035
     17        1           0.000001197    0.000002417   -0.000002102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063105 RMS     0.000010525
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.881455D+02  0.180690D+00  0.334910D+00
      2   0.180690D+00  0.765071D+02 -0.486096D+00
      3   0.334910D+00 -0.486096D+00  0.626458D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.217968D+01 -0.843858D+00 -0.456386D+01
      2   0.532244D+00  0.289306D+00  0.219466D+02
      3   0.685920D+01 -0.148521D+02 -0.649092D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.347220D+02 -0.208129D+02 -0.538310D+00
      2  -0.183776D+02  0.196259D+02 -0.500595D+01
      3  -0.163444D+02  0.118702D+01  0.554426D+01
      4  -0.948443D+01  0.295249D+02  0.178211D+01
      5   0.353489D+01  0.105042D+00  0.481674D+02
      6  -0.117035D+01 -0.382826D+01  0.105238D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.266891D+01 -0.109377D+01  0.101450D+01 -0.125646D+00 -0.459435D+01
      2  -0.109377D+01 -0.367752D+01  0.118771D+00 -0.459435D+01 -0.675241D+00
      3   0.101450D+01  0.118771D+00 -0.187711D+01  0.258130D+00  0.253221D+01
                 6             7             8             9            10 
      1   0.258130D+00  0.163732D+01  0.457226D+00 -0.235660D+01 -0.127450D+01
      2   0.253221D+01  0.457226D+00  0.356747D+01 -0.107818D+01  0.254498D+01
      3  -0.565059D+00 -0.235660D+01 -0.107818D+01 -0.707079D+01 -0.129430D+01
                11            12            13            14            15 
      1   0.254498D+01 -0.129430D+01  0.241269D+01  0.320038D+01  0.326259D+00
      2   0.349137D+01  0.300272D+00  0.320038D+01 -0.300666D+01 -0.164215D+01
      3   0.300272D+00 -0.964720D-03  0.326259D+00 -0.164215D+01 -0.944133D+00
                16            17            18            19            20 
      1  -0.243486D+01  0.338017D+00  0.732764D+00 -0.137249D+01 -0.188561D+01
      2   0.338017D+00 -0.206047D+01 -0.989487D+00 -0.188561D+01  0.473788D+01
      3   0.732764D+00 -0.989487D+00  0.104373D+02 -0.116321D+01  0.511969D+00
                21            22            23            24            25 
      1  -0.116321D+01 -0.173389D+01  0.248154D+01  0.707766D+00 -0.121940D+01
      2   0.511969D+00  0.248154D+01  0.200973D+01 -0.837295D+00  0.156542D+01
      3   0.245604D+01  0.707766D+00 -0.837295D+00 -0.234922D+01  0.276630D+01
                26            27            28            29            30 
      1   0.156542D+01  0.276630D+01  0.394583D+01  0.515663D+01  0.128901D-01
      2  -0.201493D+00 -0.340987D+01  0.515663D+01 -0.456864D+01 -0.248480D+00
      3  -0.340987D+01  0.371317D+01  0.128901D-01 -0.248480D+00 -0.659053D+00
                31            32            33            34            35 
      1   0.320949D+01  0.214884D+00 -0.541144D+00  0.672853D+00 -0.877159D+00
      2   0.214884D+00 -0.354249D+01 -0.237838D+00 -0.877159D+00 -0.375729D+00
      3  -0.541144D+00 -0.237838D+00 -0.112052D+00 -0.170946D+00  0.725283D-01
                36            37            38            39            40 
      1  -0.170946D+00  0.608722D+00 -0.355074D+01  0.119388D+00 -0.250964D+01
      2   0.725283D-01 -0.355074D+01  0.165164D+01  0.578471D+00 -0.460621D+00
      3   0.199248D-01  0.119388D+00  0.578471D+00 -0.365786D+00  0.486708D+00
                41            42            43            44            45 
      1  -0.460621D+00  0.486708D+00 -0.831941D+00  0.137027D+01 -0.871458D+00
      2   0.521413D+01  0.177429D+01  0.137027D+01  0.260907D+01  0.365626D+01
      3   0.177429D+01  0.294797D+01 -0.871458D+00  0.365626D+01 -0.455169D+01
                46            47            48            49            50 
      1  -0.891792D+00  0.118531D+01 -0.141051D+01  0.821340D+00 -0.945783D+00
      2   0.118531D+01 -0.158123D+01  0.696545D+00 -0.945783D+00  0.208569D+01
      3  -0.141051D+01  0.696545D+00 -0.132202D+01  0.423806D+00 -0.169668D+01
                51            52            53            54            55 
      1   0.423806D+00 -0.225279D+01  0.643244D+00 -0.210129D+01 -0.396331D+01
      2  -0.169668D+01  0.643244D+00 -0.308327D+01  0.321996D+01  0.265789D+01
      3   0.187926D+01 -0.210129D+01  0.321996D+01 -0.658304D+01  0.176167D+01
                56            57            58            59            60 
      1   0.265789D+01  0.176167D+01  0.211650D+01 -0.224963D+01 -0.812795D+00
      2  -0.325646D+01 -0.106991D+01 -0.224963D+01  0.410096D+01  0.171077D+01
      3  -0.106991D+01 -0.149302D+01 -0.812795D+00  0.171077D+01  0.158202D+01
                61            62            63            64            65 
      1   0.268045D+01 -0.167046D+01 -0.197556D+01 -0.147278D+02 -0.452226D+01
      2  -0.167046D+01  0.270380D+01  0.252305D+01 -0.452226D+01 -0.718566D+00
      3  -0.197556D+01  0.252305D+01  0.228659D+01  0.388194D+00 -0.858542D-02
                66            67            68            69            70 
      1   0.388194D+00 -0.327508D+01 -0.435787D+01  0.126675D+00  0.173368D-01
      2  -0.858542D-02 -0.435787D+01 -0.254321D+01  0.122043D+00  0.248126D+00
      3  -0.134278D+01  0.126675D+00  0.122043D+00 -0.586703D+00 -0.370625D+01
                71            72            73            74            75 
      1   0.248126D+00 -0.370625D+01 -0.349488D+00 -0.923696D+00 -0.766483D+00
      2   0.158557D+00 -0.141489D+01 -0.923696D+00 -0.103649D+01 -0.319357D+00
      3  -0.141489D+01  0.303413D+00 -0.766483D+00 -0.319357D+00 -0.586436D-01
                76            77            78            79            80 
      1  -0.138308D+01 -0.145735D+00 -0.805998D-01 -0.926902D+00 -0.279860D+00
      2  -0.145735D+00 -0.785996D+01 -0.249076D+01 -0.279860D+00 -0.398141D+01
      3  -0.805998D-01 -0.249076D+01 -0.201903D+01  0.164508D+00 -0.276479D+01
                81            82            83            84            85 
      1   0.164508D+00  0.896800D+00 -0.141308D+00  0.115764D+01 -0.153348D+00
      2  -0.276479D+01 -0.141308D+00  0.123938D+00 -0.289175D+00  0.561264D+00
      3  -0.186714D+01  0.115764D+01 -0.289175D+00  0.832150D+00 -0.329842D+00
                86            87            88            89            90 
      1   0.561264D+00 -0.329842D+00  0.256543D+01 -0.576854D+00  0.840562D+00
      2  -0.251027D+01  0.160605D+01 -0.576854D+00  0.259888D+01 -0.313997D+01
      3   0.160605D+01 -0.166946D+01  0.840562D+00 -0.313997D+01  0.647196D+01
                91            92            93            94            95 
      1   0.263321D+01  0.256422D+01 -0.872536D+00  0.230921D+01  0.299001D+01
      2   0.256422D+01  0.336817D+01 -0.532988D+00  0.299001D+01  0.706408D+01
      3  -0.872536D+00 -0.532988D+00  0.897461D+00 -0.556474D+00 -0.164845D+01
                96            97            98            99           100 
      1  -0.556474D+00 -0.160699D+01 -0.105697D+01  0.117051D+01  0.474311D+00
      2  -0.164845D+01 -0.105697D+01 -0.287578D+01  0.172092D+01  0.369119D+00
      3   0.125841D+01  0.117051D+01  0.172092D+01 -0.582977D+00  0.127664D+01
               101           102           103           104           105 
      1   0.369119D+00  0.127664D+01  0.841013D-01  0.855107D+00  0.985114D-01
      2   0.700045D+00  0.374065D+00  0.855107D+00  0.731092D+00  0.936111D+00
      3   0.374065D+00  0.121580D+01  0.985114D-01  0.936111D+00  0.255787D+00
               106           107           108           109           110 
      1   0.209259D+01  0.111254D+00  0.175247D+01  0.748461D+00 -0.324874D+01
      2   0.111254D+00  0.150311D+01  0.195008D+01 -0.324874D+01 -0.383216D+01
      3   0.175247D+01  0.195008D+01  0.801609D+01  0.232754D+01 -0.191810D+00
               111           112           113           114           115 
      1   0.232754D+01 -0.349862D+01 -0.500394D+01 -0.198418D+00  0.303869D+01
      2  -0.191810D+00 -0.500394D+01  0.323927D+01  0.291559D+01 -0.383546D+00
      3  -0.546427D+00 -0.198418D+00  0.291559D+01  0.978628D+00 -0.147056D+01
               116           117           118           119           120 
      1  -0.383546D+00 -0.147056D+01  0.784159D+00 -0.285873D+00 -0.126769D+01
      2   0.294401D+01  0.124344D+01 -0.285873D+00 -0.254943D+00 -0.137840D-01
      3   0.124344D+01 -0.729411D+01 -0.126769D+01 -0.137840D-01  0.343766D+00
               121           122           123           124           125 
      1  -0.375986D+00 -0.252364D+00  0.207530D-02 -0.165867D+01 -0.896149D-02
      2  -0.252364D+00  0.469647D+00 -0.974377D+00 -0.896149D-02 -0.117055D+01
      3   0.207530D-02 -0.974377D+00  0.552106D+00  0.712830D+00  0.276885D+00
               126           127           128           129           130 
      1   0.712830D+00  0.235499D+00  0.180255D+00  0.881213D+00  0.192006D+00
      2   0.276885D+00  0.180255D+00  0.295855D+00 -0.311354D-01  0.860242D+00
      3  -0.102471D+02  0.881213D+00 -0.311354D-01  0.213659D+00 -0.111151D+00
               131           132           133           134           135 
      1   0.860242D+00 -0.111151D+00  0.244256D+01 -0.379632D+00  0.193312D+01
      2  -0.722401D+00  0.749329D+00 -0.379632D+00  0.115238D+01 -0.901837D+00
      3   0.749329D+00 -0.542408D+00  0.193312D+01 -0.901837D+00  0.808927D+01
               136           137           138           139           140 
      1   0.706232D+01  0.277578D+01 -0.122921D+01  0.510247D+01  0.310530D+01
      2   0.277578D+01  0.230782D+01 -0.451745D+00  0.310530D+01  0.287315D+01
      3  -0.122921D+01 -0.451745D+00  0.110634D+01 -0.545294D+00 -0.949847D+00
               141           142           143           144           145 
      1  -0.545294D+00 -0.226098D+01 -0.550049D+00  0.143599D+01  0.252114D+01
      2  -0.949847D+00 -0.550049D+00 -0.119858D+01  0.629310D+00 -0.178221D+01
      3   0.983590D+00  0.143599D+01  0.629310D+00 -0.344325D+00 -0.935738D+00
               146           147           148           149           150 
      1  -0.178221D+01 -0.935738D+00 -0.319253D+01  0.374155D+01  0.745787D+00
      2   0.224929D+01  0.576879D+00  0.374155D+01 -0.692752D+01 -0.186899D+01
      3   0.576879D+00  0.600588D+00  0.745787D+00 -0.186899D+01 -0.164970D+01
               151           152           153 
      1  -0.195470D+01  0.104994D+01  0.114360D+01
      2   0.104994D+01 -0.228999D+01 -0.159343D+01
      3   0.114360D+01 -0.159343D+01 -0.796542D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.219104D+01 -0.112050D+01  0.205486D+01  0.158236D+00 -0.572755D+01
      2   0.118158D+01  0.234821D+01  0.546271D+00  0.273589D+01  0.347367D+01
      3   0.106268D+02 -0.440012D+00  0.146666D+01  0.697248D+01 -0.631454D+01
                 6             7             8             9            10 
      1  -0.863793D+00  0.147319D+01  0.612944D+01  0.895407D+01  0.785624D+00
      2  -0.882715D+00 -0.629092D+01 -0.264694D+01 -0.403465D+01 -0.397383D+01
      3  -0.146099D+01  0.133558D+01 -0.278305D+01 -0.271766D+01 -0.596025D+01
                11            12            13            14            15 
      1  -0.564208D+00 -0.901176D-01 -0.246780D+01  0.693442D+00 -0.215046D+01
      2   0.131708D+01  0.260306D+01  0.327272D+00 -0.146850D+01 -0.869302D+00
      3  -0.977014D+01 -0.171345D+00 -0.262638D+01  0.397128D+01  0.305633D+01
                16            17            18            19            20 
      1   0.906967D+00  0.462542D+01  0.898075D+00  0.494332D+01 -0.192299D+01
      2  -0.553068D+01  0.551049D+00  0.112594D+02  0.245226D+01 -0.178408D+01
      3  -0.966497D+00  0.324628D+01  0.156186D+01 -0.107886D+02  0.298584D+01
                21            22            23            24            25 
      1  -0.530622D+01 -0.230141D+01  0.246271D+01 -0.168321D+01 -0.109896D+01
      2  -0.209404D+01 -0.239298D+01  0.164235D+01  0.409314D+01 -0.664073D+01
      3  -0.200189D+01  0.700601D+01  0.569461D+01  0.795307D+00 -0.178511D+01
                26            27            28            29            30 
      1   0.998837D+01 -0.613354D+01 -0.657759D+01 -0.540804D+00  0.147144D+01
      2   0.589906D+01 -0.487908D+01 -0.234972D+01 -0.163130D+01 -0.787345D+01
      3   0.238531D+01 -0.560696D+00  0.539332D+01 -0.644191D+01  0.424604D+00
                31            32            33            34            35 
      1  -0.246584D+01 -0.626874D+00  0.513548D+01 -0.659560D+01  0.268510D+02
      2  -0.928434D+00 -0.777149D+00 -0.139504D+01 -0.151462D+02  0.589487D+01
      3   0.295659D+01 -0.249864D+01 -0.214279D+00 -0.209448D+00 -0.995247D+00
                36            37            38            39            40 
      1  -0.627074D+00  0.122686D+01  0.216889D+01  0.134514D+01  0.288319D+01
      2   0.427957D+00  0.862482D-01  0.270670D+00  0.420038D+01 -0.370605D-01
      3  -0.241128D+00 -0.385035D+01  0.308097D+01 -0.217194D+00  0.935320D+01
                41            42            43            44            45 
      1   0.704148D+01  0.174375D+01 -0.505628D+01  0.731419D+01 -0.681428D+01
      2   0.386746D+00 -0.224574D+01 -0.527125D+01 -0.988539D+00 -0.170817D+00
      3   0.478416D+01 -0.202224D+01  0.106416D+01 -0.336178D+01  0.204270D+01
                46            47            48            49            50 
      1   0.122832D+01 -0.296527D+01  0.324967D+01 -0.267797D+01  0.650511D+00
      2   0.161542D+01 -0.110058D+01  0.307006D+01 -0.735785D+00  0.185670D+01
      3   0.861131D+00 -0.124527D+01 -0.103081D+01  0.181074D+01  0.370321D+00
                51            52            53            54            55 
      1  -0.332707D+01  0.355181D+01 -0.584414D+01  0.117553D+02 -0.255397D+01
      2  -0.237476D+01  0.518960D+00 -0.542199D+01  0.924441D+01 -0.194792D+01
      3  -0.986487D+00 -0.313301D+01 -0.306246D+01  0.547890D+00 -0.308430D+01
                56            57            58            59            60 
      1   0.472020D+01  0.355122D+01  0.310738D+01 -0.326969D+01 -0.404163D+01
      2   0.261110D+01  0.371891D+01  0.131330D+01 -0.320265D+01 -0.293839D+01
      3  -0.225804D+01  0.124010D+01  0.283808D+01  0.110999D+01  0.384091D+00
                61            62            63            64            65 
      1   0.392701D+01 -0.429691D+01 -0.484091D+01  0.347475D+01 -0.179368D+00
      2   0.156435D+01 -0.420058D+01 -0.387287D+01  0.646726D+00  0.238181D+00
      3   0.299240D+01  0.171686D+01 -0.222459D-01  0.142836D+01 -0.112724D+02
                66            67            68            69            70 
      1  -0.289604D+01  0.869050D+00  0.897135D+00 -0.383563D+01  0.269157D+01
      2   0.125625D+02  0.100171D+01  0.522448D+00  0.401929D+01  0.526165D+01
      3   0.166181D+00 -0.255902D+01 -0.667736D+01  0.338134D+00  0.118637D+01
                71            72            73            74            75 
      1  -0.688489D+01  0.677991D+00  0.104950D+01 -0.913045D+00 -0.470597D+00
      2  -0.127690D+01 -0.554799D+00  0.122275D+01 -0.536774D+00  0.541044D+00
      3   0.119282D+01 -0.803208D+00  0.715306D+00 -0.130529D+01  0.604799D+00
                76            77            78            79            80 
      1   0.146279D+01 -0.608944D+01 -0.576020D+01  0.663323D+00 -0.446741D+01
      2  -0.944787D-01 -0.842117D+00  0.199769D+00 -0.158628D+01 -0.288299D+00
      3   0.442037D+01 -0.265185D-01  0.177743D+00  0.254705D+01  0.297577D+00
                81            82            83            84            85 
      1  -0.406974D+01 -0.931122D+00  0.447099D-01  0.393735D+00  0.171314D-02
      2  -0.306458D-01 -0.252105D+01  0.240294D+00  0.520461D+00  0.306209D+00
      3  -0.364710D+00 -0.152663D+01 -0.160043D+01 -0.874609D+00  0.119467D+01
                86            87            88            89            90 
      1   0.259189D+01 -0.416373D+01  0.410645D+01 -0.501402D+01  0.116206D+02
      2   0.757322D-03  0.273999D+00 -0.174684D+01 -0.676224D+00 -0.267655D+00
      3  -0.820864D+00  0.665424D+00 -0.410615D+01  0.110869D+01 -0.164312D+01
                91            92            93            94            95 
      1   0.139713D+01  0.900760D+00 -0.222753D+01  0.119346D+01  0.277622D+01
      2  -0.961777D+00 -0.119209D+01  0.195808D+01 -0.101060D+01 -0.247783D+01
      3   0.325186D+01 -0.417515D+00 -0.100979D+01  0.459669D+01 -0.832095D+00
                96            97            98            99           100 
      1  -0.410112D+01 -0.160594D+01 -0.127948D+01  0.147850D+01 -0.147164D+01
      2   0.209235D+01  0.131947D+00  0.192883D+01 -0.132867D+01  0.380749D-01
      3   0.178255D+00 -0.271228D+01  0.135227D+01  0.650661D+00  0.271674D+00
               101           102           103           104           105 
      1   0.661678D+00 -0.188869D+01 -0.179331D-01 -0.116687D+01 -0.146995D+01
      2  -0.424498D-01  0.149901D+01 -0.101480D+00 -0.703963D-01  0.746318D-01
      3  -0.149871D+01  0.167381D+01  0.293934D+00  0.109964D+01 -0.391639D+00
               106           107           108           109           110 
      1  -0.272610D+01  0.566639D+00 -0.119356D+02 -0.296916D+00 -0.133273D+01
      2  -0.254967D+01  0.134570D+01  0.490330D+01  0.919474D+01 -0.526628D+00
      3   0.363880D+01 -0.149257D+01  0.169892D+01  0.989496D+01  0.114354D+02
               111           112           113           114           115 
      1  -0.218394D+00 -0.143910D+01  0.250435D+01 -0.467336D+00 -0.210723D+01
      2  -0.673121D+00 -0.382283D+00  0.895931D+01  0.258690D+01 -0.842631D+01
      3  -0.786988D+00  0.215107D+02 -0.770073D+01 -0.838818D+01 -0.336173D+00
               116           117           118           119           120 
      1   0.309218D+01 -0.345935D+01 -0.537310D-02  0.417341D+00  0.273346D+00
      2   0.393674D+01 -0.191554D+02 -0.821033D+00 -0.373840D+00  0.104119D+01
      3  -0.848859D+01 -0.283339D+01  0.899413D+00 -0.430117D+00  0.196754D+00
               121           122           123           124           125 
      1   0.643663D+00 -0.633113D+00 -0.266582D+00 -0.205671D+00  0.357891D+01
      2   0.230231D+00 -0.136389D+01  0.419865D+00 -0.371465D+01  0.462301D+00
      3   0.225601D+01 -0.936654D+00  0.148805D+01 -0.125066D+00  0.172156D+01
               126           127           128           129           130 
      1  -0.107600D+01  0.663668D+00  0.856849D-01  0.298017D+00  0.175982D+00
      2  -0.110528D+02  0.237662D+01 -0.236851D+00  0.194566D+01 -0.145434D+00
      3  -0.474765D+00 -0.520468D+00 -0.166934D+01 -0.307382D+00 -0.128987D+01
               131           132           133           134           135 
      1  -0.156274D-01 -0.102710D+01  0.833127D+00  0.289692D+01  0.426294D+01
      2   0.158173D+01 -0.165609D+01  0.110265D+01 -0.226742D+01  0.226333D+02
      3   0.141189D+01 -0.171513D+01 -0.512938D+00 -0.340495D+01  0.167029D+01
               136           137           138           139           140 
      1   0.596232D-01 -0.321019D-01 -0.608354D+00 -0.257787D-01 -0.448467D+00
      2  -0.355018D+01 -0.162274D+01  0.506085D+01 -0.160180D+01 -0.296531D+01
      3  -0.108088D+02 -0.105063D+02  0.202805D+01 -0.886897D+01 -0.109322D+02
               141           142           143           144           145 
      1  -0.128907D+01  0.565497D+00  0.119093D+01  0.140714D+00 -0.801142D+00
      2   0.420175D+01  0.273594D+01  0.178194D+01 -0.107754D+01 -0.251629D+01
      3   0.318526D+01  0.215366D+01  0.419898D+01 -0.213438D+01  0.310205D+01
               146           147           148           149           150 
      1   0.571747D+00  0.106853D+01  0.727741D+00 -0.139374D+01 -0.376578D+01
      2   0.177542D+01  0.270657D+01  0.151572D+01 -0.525587D+01 -0.559966D+01
      3  -0.689177D+01 -0.115483D+01 -0.579548D+01  0.183911D+02  0.508092D+01
               151           152           153 
      1   0.771297D+00 -0.202095D+00 -0.107780D+01
      2   0.151834D+01 -0.412702D+01 -0.221408D+01
      3  -0.103136D+01  0.636830D+01  0.362299D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.238831D+01  0.698723D+01  0.215419D+01  0.480668D+01 -0.380569D+01
      2  -0.211660D+01 -0.142434D+02  0.185561D+01 -0.126275D+02 -0.544020D+01
      3  -0.271711D+00  0.725614D+01 -0.400980D+01  0.782084D+01  0.924589D+01
      4   0.591688D+00 -0.108988D+02  0.214630D+01 -0.112729D+02 -0.117585D+02
      5   0.276903D+01  0.332383D+01 -0.299159D+01  0.317368D+01  0.463004D+01
      6   0.396334D+01  0.200616D+01 -0.556107D+01  0.309386D+01  0.120230D+02
                 6             7             8             9            10 
      1  -0.344906D+01  0.309154D+01 -0.338445D+01  0.671915D+01 -0.130525D+02
      2   0.910169D+01  0.368100D+01  0.119413D+02  0.255796D+01  0.420429D+01
      3  -0.565263D+01 -0.677254D+01 -0.855687D+01 -0.927711D+01  0.884821D+01
      4   0.500082D+01  0.239557D+01  0.847607D+01 -0.102331D+02  0.712038D+01
      5  -0.210977D+01 -0.340713D+01 -0.511824D+01 -0.107812D+02 -0.755348D+01
      6  -0.183541D+01 -0.756300D+01 -0.476242D+01 -0.169129D+02 -0.136025D+00
                11            12            13            14            15 
      1   0.605821D+01 -0.430394D+01  0.101105D+02  0.115219D+02  0.175736D+01
      2  -0.519842D+00  0.230869D+01 -0.390650D+01 -0.595176D+01 -0.223656D+01
      3  -0.553837D+01  0.199526D+01 -0.620402D+01 -0.557009D+01  0.479202D+00
      4   0.190318D+01  0.145413D+01  0.796018D+01 -0.484357D+01 -0.231747D+01
      5   0.183123D+01 -0.146513D+01  0.111220D+01 -0.287786D+01 -0.148123D+01
      6  -0.523417D+00  0.901671D+00 -0.124704D+01 -0.534290D+00  0.102232D+01
                16            17            18            19            20 
      1  -0.102008D+02  0.215940D+01  0.969069D+01 -0.299420D-01 -0.475076D+01
      2   0.314376D+01 -0.304026D+01  0.105173D+02 -0.188800D+01  0.903767D+01
      3   0.705709D+01  0.880861D+00 -0.202080D+02  0.191794D+01 -0.428692D+01
      4   0.842291D+00 -0.367402D+01 -0.140075D+01  0.428233D+01 -0.150655D+02
      5   0.301819D+01 -0.136879D+01  0.248289D+02  0.334890D+01 -0.489324D+01
      6  -0.208982D+00  0.453282D+01 -0.394712D+00 -0.536762D+01  0.326713D+01
                21            22            23            24            25 
      1   0.250673D+01  0.338375D+01 -0.574650D+01 -0.111454D+01  0.326996D+00
      2   0.231119D+01  0.991722D+00  0.108455D+02 -0.303322D+01  0.323195D+01
      3  -0.481792D+01 -0.437547D+01 -0.509898D+01  0.414776D+01 -0.355894D+01
      4  -0.389102D+01 -0.244486D+01  0.779313D+01  0.197972D+01 -0.618286D+01
      5  -0.775405D+01 -0.454884D+01  0.258520D+01  0.826818D+01 -0.805985D+01
      6   0.894845D+01  0.397161D+01 -0.444728D+01 -0.551673D+01  0.984711D+01
                26            27            28            29            30 
      1  -0.529851D+01  0.795414D+01 -0.404170D+02 -0.992290D+01 -0.124597D+00
      2  -0.318339D+01 -0.425228D+01  0.218768D+02  0.168029D+01 -0.215692D+00
      3   0.848190D+01 -0.370186D+01  0.185402D+02  0.824260D+01  0.340289D+00
      4  -0.381391D+00  0.177418D+02 -0.245831D+02 -0.110508D+02  0.112893D+01
      5   0.126733D+02 -0.740194D+01  0.187158D+01  0.124261D+01 -0.107439D+02
      6  -0.161933D+02  0.129716D+02 -0.102914D+01 -0.622383D+00 -0.337842D+01
                31            32            33            34            35 
      1  -0.164415D+02 -0.526462D+00 -0.363687D-01  0.734273D+00  0.571281D+00
      2   0.106197D+02 -0.463997D+01 -0.408078D+00 -0.998527D+00  0.988022D+00
      3   0.582179D+01  0.516643D+01  0.444447D+00  0.264254D+00 -0.155930D+01
      4  -0.753063D+01  0.932161D+00  0.578805D-01  0.219262D+01  0.776253D+00
      5   0.192356D+01 -0.254690D+00 -0.259205D+01  0.338795D+01 -0.117844D+01
      6  -0.140202D+01  0.207102D+01 -0.391761D+01 -0.105706D+01  0.493563D+01
                36            37            38            39            40 
      1  -0.966860D+01  0.112815D+01  0.566280D+00  0.269295D+01 -0.111904D+02
      2  -0.139387D+01  0.320796D+01 -0.345201D+01 -0.254859D+01  0.576319D+01
      3   0.110625D+02 -0.433611D+01  0.288573D+01 -0.144362D+00  0.542725D+01
      4  -0.373304D+01  0.408777D-01  0.405150D+01 -0.360318D+00 -0.134750D+01
      5   0.165578D+01  0.370811D+00 -0.707674D+00  0.198804D+01 -0.166309D+00
      6  -0.979419D+00  0.163638D+01 -0.296527D+01  0.270958D+00 -0.176429D+01
                41            42            43            44            45 
      1   0.920038D+01  0.132035D+01  0.988751D+01 -0.477653D+00  0.149861D+02
      2  -0.113422D+02 -0.650915D+01 -0.513230D+01 -0.617515D+01 -0.934976D+01
      3   0.214178D+01  0.518880D+01 -0.475521D+01  0.665281D+01 -0.563629D+01
      4  -0.517661D+01 -0.144981D+01  0.234529D+01 -0.172918D+01  0.345538D+01
      5  -0.130873D+01 -0.207903D+01 -0.282123D+01  0.138760D+01 -0.396226D+01
      6  -0.116281D+02 -0.926458D+01  0.549332D+01 -0.165064D+02  0.115501D+02
                46            47            48            49            50 
      1   0.867975D+00  0.373266D+00  0.126885D+01  0.109286D+01 -0.714096D+01
      2  -0.116523D+01 -0.181348D+01 -0.186201D+01 -0.246385D+01  0.764399D+01
      3   0.297260D+00  0.144021D+01  0.593156D+00  0.137099D+01 -0.503028D+00
      4  -0.639859D+01  0.950073D+01 -0.570282D+01  0.568126D+01 -0.827486D+01
      5   0.610280D+01 -0.339416D+01  0.866978D+01 -0.136061D+01  0.442785D+01
      6  -0.501119D+01  0.347552D+01 -0.490157D+01  0.330110D+01 -0.823003D+01
                51            52            53            54            55 
      1   0.519083D+01  0.205976D+01  0.956175D+01 -0.128431D+02  0.827096D+01
      2  -0.449863D+01 -0.329556D+01 -0.564740D+01 -0.224092D+01  0.195273D+00
      3  -0.692201D+00  0.123580D+01 -0.391435D+01  0.150841D+02 -0.846623D+01
      4   0.552788D+01 -0.733519D+01  0.101682D+02 -0.133300D+02 -0.178532D+02
      5  -0.454636D+01  0.949704D+01 -0.968323D+01  0.180602D+02 -0.904555D+01
      6   0.105762D+02 -0.765869D+01  0.167991D+02 -0.239472D+02  0.715787D+01
                56            57            58            59            60 
      1  -0.703388D+00 -0.249021D+01  0.785464D+00 -0.743379D+01 -0.251008D+01
      2  -0.631440D+01 -0.106256D+00 -0.650562D+01  0.154987D+02  0.540469D+01
      3   0.701778D+01  0.259647D+01  0.572015D+01 -0.806490D+01 -0.289461D+01
      4   0.192572D+02  0.783927D+01  0.134082D+02 -0.179448D+02 -0.708143D+01
      5   0.590169D+01  0.821895D+01  0.426188D+01 -0.680354D+01 -0.560660D+01
      6  -0.622825D+01 -0.617119D+01 -0.528351D+01  0.967567D+01  0.889602D+01
                61            62            63            64            65 
      1  -0.263633D+01 -0.372693D+01 -0.437944D+01  0.865936D+02  0.176302D+02
      2   0.118345D+00  0.704713D+01  0.215904D+01 -0.468437D+02 -0.553946D+01
      3   0.251799D+01 -0.332019D+01  0.222040D+01 -0.397499D+02 -0.120907D+02
      4   0.106234D+02 -0.110427D+02 -0.113157D+02  0.377647D+02  0.251334D+02
      5   0.937221D+01 -0.923401D+01 -0.937006D+01 -0.326687D+01 -0.102855D+01
      6  -0.803899D+01  0.130995D+02  0.101476D+02  0.136826D+01  0.405436D+00
                66            67            68            69            70 
      1  -0.141564D+01  0.161985D+02  0.110957D+02  0.204012D+00 -0.183668D+01
      2   0.126602D+01 -0.490034D+01  0.834504D+00 -0.316973D+00  0.195517D+01
      3   0.149612D+00 -0.112982D+02 -0.119302D+02  0.112960D+00 -0.118488D+00
      4  -0.548595D+00  0.297479D+02  0.199197D+02 -0.337751D+00 -0.715171D+00
      5   0.211815D+02 -0.100134D+01 -0.667396D+00  0.645420D+01  0.250553D+02
      6   0.533482D+01  0.477384D+00 -0.940724D+00  0.661526D+01  0.574647D+01
                71            72            73            74            75 
      1   0.136419D+00  0.127292D+02 -0.381961D-01 -0.189631D+01 -0.762259D+00
      2  -0.143970D+00 -0.105315D+02  0.181250D+01  0.328090D+01  0.736315D+00
      3   0.755079D-02 -0.219769D+01 -0.177431D+01 -0.138458D+01  0.259440D-01
      4  -0.301920D+00  0.901613D+01  0.174910D+01  0.890533D+01  0.272746D+01
      5   0.745545D+01 -0.240103D+01  0.708638D+00  0.175724D+01  0.260778D+01
      6   0.719224D+01 -0.473234D-01  0.280220D+01  0.151137D+01  0.485660D+00
                76            77            78            79            80 
      1   0.163875D+01 -0.243696D+02 -0.769933D+01 -0.986680D+00 -0.105596D+02
      2  -0.556080D+00  0.350952D+02  0.986430D+01  0.592672D+00  0.121614D+02
      3  -0.108267D+01 -0.107256D+02 -0.216497D+01  0.394009D+00 -0.160177D+01
      4   0.597151D+01  0.187311D+01  0.912774D+00  0.357637D+01  0.120561D+01
      5   0.135946D+01  0.131231D+01  0.771347D+00  0.222714D+01  0.790705D+00
      6   0.284478D+00  0.162061D+02  0.116414D+02 -0.857976D+00  0.152691D+02
                81            82            83            84            85 
      1  -0.104051D+02 -0.402282D+00 -0.144396D+00 -0.774674D+00  0.223698D+01
      2   0.702545D+01 -0.141583D+01 -0.303553D+00  0.265584D+00 -0.232915D+01
      3   0.337962D+01  0.181811D+01  0.447949D+00  0.509090D+00  0.921704D-01
      4   0.167375D+00 -0.270424D+01  0.352883D+01 -0.358378D+01  0.236735D+01
      5   0.116615D+01  0.742907D+00 -0.200189D+01  0.469846D+01 -0.838173D+00
      6   0.103364D+02 -0.355508D+01  0.100772D+01 -0.169088D+01  0.122093D+01
                86            87            88            89            90 
      1  -0.106493D+02  0.589785D+01 -0.316073D+01  0.108730D+02 -0.187302D+02
      2   0.101651D+02 -0.422837D+01  0.513491D+00 -0.607395D+01  0.136789D+01
      3   0.484218D+00 -0.166949D+01  0.264724D+01 -0.479908D+01  0.173623D+02
      4  -0.184868D+01  0.102983D+01 -0.544198D+01  0.144421D+01 -0.239201D+01
      5   0.102373D+01 -0.394586D-01  0.439589D+01 -0.132818D+01  0.194220D+01
      6  -0.733950D+01  0.100728D+02 -0.426791D+01  0.152558D+02 -0.215423D+02
                91            92            93            94            95 
      1   0.158998D+01 -0.295227D+01 -0.488368D+00 -0.327083D+01 -0.158210D+02
      2   0.610800D+01  0.114605D+02 -0.153476D+01  0.110753D+02  0.336613D+02
      3  -0.769798D+01 -0.850822D+01  0.202313D+01 -0.780450D+01 -0.178403D+02
      4   0.134858D+02  0.171580D+02 -0.403612D+01  0.157667D+02  0.224409D+02
      5  -0.349297D+01 -0.239018D+01  0.366936D+01 -0.221595D+01 -0.422543D+01
      6  -0.412031D+01 -0.350270D+01  0.390640D+01 -0.346852D+01 -0.955603D+01
                96            97            98            99           100 
      1   0.343624D+01 -0.547744D+00  0.601923D+01 -0.461104D+01  0.330863D+00
      2  -0.700991D+01 -0.210430D+01 -0.106760D+02  0.392168D+01 -0.248566D+01
      3   0.357367D+01  0.265204D+01  0.465678D+01  0.689364D+00  0.215479D+01
      4  -0.514283D+01 -0.663058D+01 -0.856610D+01  0.633718D+01  0.272195D+01
      5   0.306489D+01  0.420134D+01  0.449127D+01 -0.283755D+01  0.422066D+01
      6   0.772296D+01  0.543183D+01  0.997418D+01 -0.519191D+01  0.338239D+01
               101           102           103           104           105 
      1  -0.906459D+00  0.542390D+00 -0.189733D+01 -0.340174D+01 -0.307089D+01
      2   0.223119D+01 -0.229926D+01  0.316223D+01  0.276157D+01  0.259028D+01
      3  -0.132473D+01  0.175687D+01 -0.126490D+01  0.640165D+00  0.480612D+00
      4   0.467601D+01  0.347198D+01  0.314912D+01  0.334844D+01  0.169337D+01
      5   0.121318D+01  0.770014D+01 -0.263121D+00  0.143913D+01  0.171307D+00
      6   0.152799D+01  0.321284D+01  0.962415D+00  0.329047D+01  0.658140D+01
               106           107           108           109           110 
      1   0.370409D+00 -0.582579D+01 -0.155571D+02  0.102938D+01 -0.210576D+02
      2  -0.363035D+01  0.292617D+01 -0.817629D+01 -0.177138D+01  0.146571D+02
      3   0.325994D+01  0.289962D+01  0.237334D+02  0.742001D+00  0.640048D+01
      4   0.508497D+01  0.358819D+01  0.764803D+01 -0.207768D+02 -0.215794D+02
      5   0.722652D+01  0.377147D+01  0.131710D+02  0.170261D+02 -0.117161D+01
      6   0.589938D+01  0.100999D+02  0.234062D+02 -0.210708D+01  0.299436D+01
               111           112           113           114           115 
      1   0.123125D+02 -0.268426D+02 -0.204761D+02  0.219625D+01  0.169693D+02
      2  -0.473003D+01  0.193016D+02  0.271420D+01 -0.535244D+01 -0.433941D+01
      3  -0.758244D+01  0.754101D+01  0.177619D+02  0.315618D+01 -0.126299D+02
      4  -0.138453D+01 -0.303589D+02  0.184267D+02  0.164759D+02 -0.187618D+01
      5  -0.372513D+01 -0.121938D+01  0.176746D+02  0.474517D+01 -0.759021D+01
      6   0.643363D+00  0.378949D+01 -0.553842D+01 -0.254453D+01  0.199453D+01
               116           117           118           119           120 
      1   0.139030D+01  0.185238D+01  0.324673D+01 -0.100333D+01 -0.299495D+01
      2  -0.544556D+01  0.543814D+01 -0.539338D+01  0.377914D+00  0.162167D+01
      3   0.405526D+01 -0.729052D+01  0.214665D+01  0.625416D+00  0.137328D+01
      4   0.166943D+02  0.588601D+01 -0.973431D+00  0.173484D+01 -0.561298D-01
      5   0.625898D+01 -0.342166D+02 -0.283205D+01 -0.432608D+00  0.820786D+01
      6  -0.324538D+01  0.734704D+01 -0.162376D+00 -0.167826D+00 -0.948550D-02
               121           122           123           124           125 
      1  -0.548826D+00 -0.503231D+01  0.908364D+00 -0.365390D+01  0.132336D+01
      2   0.196029D-02  0.631551D+00  0.621614D+00  0.450441D+01 -0.592154D-01
      3   0.546865D+00  0.440076D+01 -0.152998D+01 -0.850513D+00 -0.126414D+01
      4   0.159122D+01  0.106062D+01 -0.206544D+01  0.917055D+00 -0.201017D+01
      5  -0.518523D+00 -0.263705D+01  0.123659D+01  0.675304D+01  0.673451D+00
      6  -0.334655D+00 -0.450288D+00  0.789141D+01 -0.445991D-01  0.430584D+01
               126           127           128           129           130 
      1  -0.205407D+02  0.245798D+01  0.130099D+01  0.516608D+01  0.209540D+01
      2  -0.189414D+02 -0.343635D+01 -0.809649D+00 -0.354191D+01 -0.175163D+01
      3   0.394821D+02  0.978372D+00 -0.491337D+00 -0.162417D+01 -0.343770D+00
      4   0.139950D+01  0.953444D+00  0.328236D+01 -0.144522D+01  0.622409D+01
      5  -0.231864D+02  0.467064D+01 -0.802441D+00  0.742577D+01 -0.795741D+00
      6   0.199272D-01 -0.124552D+01 -0.496200D+00 -0.672404D+00  0.701533D+00
               131           132           133           134           135 
      1   0.108947D+01  0.577323D+00  0.107753D+02  0.231598D+00 -0.556235D+01
      2  -0.214327D+00 -0.105099D+00 -0.903761D+01  0.179384D+00 -0.137849D+02
      3  -0.875144D+00 -0.472225D+00 -0.173772D+01 -0.410982D+00  0.193472D+02
      4  -0.390413D+01  0.325961D+01 -0.364169D+01  0.591834D+01 -0.436961D+01
      5   0.311907D+01 -0.319497D+01  0.149831D+02 -0.475643D+01  0.427470D+02
      6  -0.124623D+01  0.564757D+01 -0.231963D+01  0.600602D+01 -0.980855D+01
               136           137           138           139           140 
      1   0.489321D+02  0.189493D+02 -0.805287D+01  0.304780D+02  0.154619D+02
      2  -0.256914D+02 -0.102338D+02  0.458071D+01 -0.155376D+02 -0.459019D+01
      3  -0.232407D+02 -0.871548D+01  0.347216D+01 -0.149404D+02 -0.108717D+02
      4   0.183770D+02  0.172498D+02 -0.308500D+01  0.221271D+02  0.193919D+02
      5  -0.911585D+01 -0.338506D+01  0.935968D+01 -0.455009D+01 -0.608829D+01
      6  -0.255565D+00 -0.822366D-01  0.316526D+00 -0.834687D+00 -0.362341D+00
               141           142           143           144           145 
      1  -0.353320D+01 -0.127810D+02 -0.318596D+01  0.597594D+01  0.146312D+02
      2   0.247298D+01  0.732440D+01  0.264689D+01 -0.541864D+01 -0.396085D+01
      3   0.106022D+01  0.545658D+01  0.539076D+00 -0.557301D+00 -0.106703D+02
      4  -0.603233D+01 -0.395762D+01 -0.728108D+01  0.414605D+01 -0.136172D+02
      5   0.749919D+01  0.115175D+02  0.481237D+01 -0.375376D+01 -0.619044D+01
      6   0.226198D+01  0.125475D+01  0.273483D+01 -0.192937D+01  0.267947D+01
               146           147           148           149           150 
      1  -0.828716D+01 -0.478961D+01 -0.127559D+02  0.502944D+01  0.248941D+00
      2   0.383576D+00  0.166945D+01 -0.965227D-01  0.143365D+02  0.299475D+01
      3   0.790358D+01  0.312016D+01  0.128524D+02 -0.193660D+02 -0.324369D+01
      4   0.187204D+02  0.483938D+01  0.271057D+02 -0.412547D+02 -0.111758D+02
      5   0.445153D+01  0.559825D+01  0.564729D+01 -0.113489D+02 -0.105614D+02
      6  -0.160741D+01 -0.163567D+01 -0.313317D+01  0.652084D+01  0.679520D+01
               151           152           153 
      1  -0.863451D+01  0.516598D+00  0.626224D+00
      2   0.324958D+01  0.287869D+01 -0.661768D+00
      3   0.538493D+01 -0.339529D+01  0.355440D-01
      4   0.780372D+01 -0.132845D+02 -0.902331D+01
      5   0.838871D+01 -0.946662D+01 -0.532566D+01
      6  -0.346985D+01  0.700971D+01  0.448877D+01
 Leave Link  716 at Thu Jul  8 20:10:00 2021, MaxMem= 10737418240 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.881455D+02  0.180690D+00  0.334910D+00
      2   0.180690D+00  0.765071D+02 -0.486096D+00
      3   0.334910D+00 -0.486096D+00  0.626458D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.217968D+01 -0.843858D+00 -0.456386D+01
      2   0.532244D+00  0.289306D+00  0.219466D+02
      3   0.685920D+01 -0.148521D+02 -0.649092D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.347220D+02 -0.208129D+02 -0.538310D+00
      2  -0.183776D+02  0.196259D+02 -0.500595D+01
      3  -0.163444D+02  0.118702D+01  0.554426D+01
      4  -0.948443D+01  0.295249D+02  0.178211D+01
      5   0.353489D+01  0.105042D+00  0.481674D+02
      6  -0.117035D+01 -0.382826D+01  0.105238D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.266891D+01 -0.109377D+01  0.101450D+01 -0.125646D+00 -0.459435D+01
      2  -0.109377D+01 -0.367752D+01  0.118771D+00 -0.459435D+01 -0.675241D+00
      3   0.101450D+01  0.118771D+00 -0.187711D+01  0.258130D+00  0.253221D+01
                 6             7             8             9            10 
      1   0.258130D+00  0.163732D+01  0.457226D+00 -0.235660D+01 -0.127450D+01
      2   0.253221D+01  0.457226D+00  0.356747D+01 -0.107818D+01  0.254498D+01
      3  -0.565059D+00 -0.235660D+01 -0.107818D+01 -0.707079D+01 -0.129430D+01
                11            12            13            14            15 
      1   0.254498D+01 -0.129430D+01  0.241269D+01  0.320038D+01  0.326259D+00
      2   0.349137D+01  0.300272D+00  0.320038D+01 -0.300666D+01 -0.164215D+01
      3   0.300272D+00 -0.964720D-03  0.326259D+00 -0.164215D+01 -0.944133D+00
                16            17            18            19            20 
      1  -0.243486D+01  0.338017D+00  0.732764D+00 -0.137249D+01 -0.188561D+01
      2   0.338017D+00 -0.206047D+01 -0.989487D+00 -0.188561D+01  0.473788D+01
      3   0.732764D+00 -0.989487D+00  0.104373D+02 -0.116321D+01  0.511969D+00
                21            22            23            24            25 
      1  -0.116321D+01 -0.173389D+01  0.248154D+01  0.707766D+00 -0.121940D+01
      2   0.511969D+00  0.248154D+01  0.200973D+01 -0.837295D+00  0.156542D+01
      3   0.245604D+01  0.707766D+00 -0.837295D+00 -0.234922D+01  0.276630D+01
                26            27            28            29            30 
      1   0.156542D+01  0.276630D+01  0.394583D+01  0.515663D+01  0.128901D-01
      2  -0.201493D+00 -0.340987D+01  0.515663D+01 -0.456864D+01 -0.248480D+00
      3  -0.340987D+01  0.371317D+01  0.128901D-01 -0.248480D+00 -0.659053D+00
                31            32            33            34            35 
      1   0.320949D+01  0.214884D+00 -0.541144D+00  0.672853D+00 -0.877159D+00
      2   0.214884D+00 -0.354249D+01 -0.237838D+00 -0.877159D+00 -0.375729D+00
      3  -0.541144D+00 -0.237838D+00 -0.112052D+00 -0.170946D+00  0.725283D-01
                36            37            38            39            40 
      1  -0.170946D+00  0.608722D+00 -0.355074D+01  0.119388D+00 -0.250964D+01
      2   0.725283D-01 -0.355074D+01  0.165164D+01  0.578471D+00 -0.460621D+00
      3   0.199248D-01  0.119388D+00  0.578471D+00 -0.365786D+00  0.486708D+00
                41            42            43            44            45 
      1  -0.460621D+00  0.486708D+00 -0.831941D+00  0.137027D+01 -0.871458D+00
      2   0.521413D+01  0.177429D+01  0.137027D+01  0.260907D+01  0.365626D+01
      3   0.177429D+01  0.294797D+01 -0.871458D+00  0.365626D+01 -0.455169D+01
                46            47            48            49            50 
      1  -0.891792D+00  0.118531D+01 -0.141051D+01  0.821340D+00 -0.945783D+00
      2   0.118531D+01 -0.158123D+01  0.696545D+00 -0.945783D+00  0.208569D+01
      3  -0.141051D+01  0.696545D+00 -0.132202D+01  0.423806D+00 -0.169668D+01
                51            52            53            54            55 
      1   0.423806D+00 -0.225279D+01  0.643244D+00 -0.210129D+01 -0.396331D+01
      2  -0.169668D+01  0.643244D+00 -0.308327D+01  0.321996D+01  0.265789D+01
      3   0.187926D+01 -0.210129D+01  0.321996D+01 -0.658304D+01  0.176167D+01
                56            57            58            59            60 
      1   0.265789D+01  0.176167D+01  0.211650D+01 -0.224963D+01 -0.812795D+00
      2  -0.325646D+01 -0.106991D+01 -0.224963D+01  0.410096D+01  0.171077D+01
      3  -0.106991D+01 -0.149302D+01 -0.812795D+00  0.171077D+01  0.158202D+01
                61            62            63            64            65 
      1   0.268045D+01 -0.167046D+01 -0.197556D+01 -0.147278D+02 -0.452226D+01
      2  -0.167046D+01  0.270380D+01  0.252305D+01 -0.452226D+01 -0.718566D+00
      3  -0.197556D+01  0.252305D+01  0.228659D+01  0.388194D+00 -0.858542D-02
                66            67            68            69            70 
      1   0.388194D+00 -0.327508D+01 -0.435787D+01  0.126675D+00  0.173368D-01
      2  -0.858542D-02 -0.435787D+01 -0.254321D+01  0.122043D+00  0.248126D+00
      3  -0.134278D+01  0.126675D+00  0.122043D+00 -0.586703D+00 -0.370625D+01
                71            72            73            74            75 
      1   0.248126D+00 -0.370625D+01 -0.349488D+00 -0.923696D+00 -0.766483D+00
      2   0.158557D+00 -0.141489D+01 -0.923696D+00 -0.103649D+01 -0.319357D+00
      3  -0.141489D+01  0.303413D+00 -0.766483D+00 -0.319357D+00 -0.586436D-01
                76            77            78            79            80 
      1  -0.138308D+01 -0.145735D+00 -0.805998D-01 -0.926902D+00 -0.279860D+00
      2  -0.145735D+00 -0.785996D+01 -0.249076D+01 -0.279860D+00 -0.398141D+01
      3  -0.805998D-01 -0.249076D+01 -0.201903D+01  0.164508D+00 -0.276479D+01
                81            82            83            84            85 
      1   0.164508D+00  0.896800D+00 -0.141308D+00  0.115764D+01 -0.153348D+00
      2  -0.276479D+01 -0.141308D+00  0.123938D+00 -0.289175D+00  0.561264D+00
      3  -0.186714D+01  0.115764D+01 -0.289175D+00  0.832150D+00 -0.329842D+00
                86            87            88            89            90 
      1   0.561264D+00 -0.329842D+00  0.256543D+01 -0.576854D+00  0.840562D+00
      2  -0.251027D+01  0.160605D+01 -0.576854D+00  0.259888D+01 -0.313997D+01
      3   0.160605D+01 -0.166946D+01  0.840562D+00 -0.313997D+01  0.647196D+01
                91            92            93            94            95 
      1   0.263321D+01  0.256422D+01 -0.872536D+00  0.230921D+01  0.299001D+01
      2   0.256422D+01  0.336817D+01 -0.532988D+00  0.299001D+01  0.706408D+01
      3  -0.872536D+00 -0.532988D+00  0.897461D+00 -0.556474D+00 -0.164845D+01
                96            97            98            99           100 
      1  -0.556474D+00 -0.160699D+01 -0.105697D+01  0.117051D+01  0.474311D+00
      2  -0.164845D+01 -0.105697D+01 -0.287578D+01  0.172092D+01  0.369119D+00
      3   0.125841D+01  0.117051D+01  0.172092D+01 -0.582977D+00  0.127664D+01
               101           102           103           104           105 
      1   0.369119D+00  0.127664D+01  0.841013D-01  0.855107D+00  0.985114D-01
      2   0.700045D+00  0.374065D+00  0.855107D+00  0.731092D+00  0.936111D+00
      3   0.374065D+00  0.121580D+01  0.985114D-01  0.936111D+00  0.255787D+00
               106           107           108           109           110 
      1   0.209259D+01  0.111254D+00  0.175247D+01  0.748461D+00 -0.324874D+01
      2   0.111254D+00  0.150311D+01  0.195008D+01 -0.324874D+01 -0.383216D+01
      3   0.175247D+01  0.195008D+01  0.801609D+01  0.232754D+01 -0.191810D+00
               111           112           113           114           115 
      1   0.232754D+01 -0.349862D+01 -0.500394D+01 -0.198418D+00  0.303869D+01
      2  -0.191810D+00 -0.500394D+01  0.323927D+01  0.291559D+01 -0.383546D+00
      3  -0.546427D+00 -0.198418D+00  0.291559D+01  0.978628D+00 -0.147056D+01
               116           117           118           119           120 
      1  -0.383546D+00 -0.147056D+01  0.784159D+00 -0.285873D+00 -0.126769D+01
      2   0.294401D+01  0.124344D+01 -0.285873D+00 -0.254943D+00 -0.137840D-01
      3   0.124344D+01 -0.729411D+01 -0.126769D+01 -0.137840D-01  0.343766D+00
               121           122           123           124           125 
      1  -0.375986D+00 -0.252364D+00  0.207530D-02 -0.165867D+01 -0.896149D-02
      2  -0.252364D+00  0.469647D+00 -0.974377D+00 -0.896149D-02 -0.117055D+01
      3   0.207530D-02 -0.974377D+00  0.552106D+00  0.712830D+00  0.276885D+00
               126           127           128           129           130 
      1   0.712830D+00  0.235499D+00  0.180255D+00  0.881213D+00  0.192006D+00
      2   0.276885D+00  0.180255D+00  0.295855D+00 -0.311354D-01  0.860242D+00
      3  -0.102471D+02  0.881213D+00 -0.311354D-01  0.213659D+00 -0.111151D+00
               131           132           133           134           135 
      1   0.860242D+00 -0.111151D+00  0.244256D+01 -0.379632D+00  0.193312D+01
      2  -0.722401D+00  0.749329D+00 -0.379632D+00  0.115238D+01 -0.901837D+00
      3   0.749329D+00 -0.542408D+00  0.193312D+01 -0.901837D+00  0.808927D+01
               136           137           138           139           140 
      1   0.706232D+01  0.277578D+01 -0.122921D+01  0.510247D+01  0.310530D+01
      2   0.277578D+01  0.230782D+01 -0.451745D+00  0.310530D+01  0.287315D+01
      3  -0.122921D+01 -0.451745D+00  0.110634D+01 -0.545294D+00 -0.949847D+00
               141           142           143           144           145 
      1  -0.545294D+00 -0.226098D+01 -0.550049D+00  0.143599D+01  0.252114D+01
      2  -0.949847D+00 -0.550049D+00 -0.119858D+01  0.629310D+00 -0.178221D+01
      3   0.983590D+00  0.143599D+01  0.629310D+00 -0.344325D+00 -0.935738D+00
               146           147           148           149           150 
      1  -0.178221D+01 -0.935738D+00 -0.319253D+01  0.374155D+01  0.745787D+00
      2   0.224929D+01  0.576879D+00  0.374155D+01 -0.692752D+01 -0.186899D+01
      3   0.576879D+00  0.600588D+00  0.745787D+00 -0.186899D+01 -0.164970D+01
               151           152           153 
      1  -0.195470D+01  0.104994D+01  0.114360D+01
      2   0.104994D+01 -0.228999D+01 -0.159343D+01
      3   0.114360D+01 -0.159343D+01 -0.796542D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.219104D+01 -0.112050D+01  0.205486D+01  0.158236D+00 -0.572755D+01
      2   0.118158D+01  0.234821D+01  0.546271D+00  0.273589D+01  0.347367D+01
      3   0.106268D+02 -0.440012D+00  0.146666D+01  0.697248D+01 -0.631454D+01
                 6             7             8             9            10 
      1  -0.863793D+00  0.147319D+01  0.612944D+01  0.895407D+01  0.785624D+00
      2  -0.882715D+00 -0.629092D+01 -0.264694D+01 -0.403465D+01 -0.397383D+01
      3  -0.146099D+01  0.133558D+01 -0.278305D+01 -0.271766D+01 -0.596025D+01
                11            12            13            14            15 
      1  -0.564208D+00 -0.901176D-01 -0.246780D+01  0.693442D+00 -0.215046D+01
      2   0.131708D+01  0.260306D+01  0.327272D+00 -0.146850D+01 -0.869302D+00
      3  -0.977014D+01 -0.171345D+00 -0.262638D+01  0.397128D+01  0.305633D+01
                16            17            18            19            20 
      1   0.906967D+00  0.462542D+01  0.898075D+00  0.494332D+01 -0.192299D+01
      2  -0.553068D+01  0.551049D+00  0.112594D+02  0.245226D+01 -0.178408D+01
      3  -0.966497D+00  0.324628D+01  0.156186D+01 -0.107886D+02  0.298584D+01
                21            22            23            24            25 
      1  -0.530622D+01 -0.230141D+01  0.246271D+01 -0.168321D+01 -0.109896D+01
      2  -0.209404D+01 -0.239298D+01  0.164235D+01  0.409314D+01 -0.664073D+01
      3  -0.200189D+01  0.700601D+01  0.569461D+01  0.795307D+00 -0.178511D+01
                26            27            28            29            30 
      1   0.998837D+01 -0.613354D+01 -0.657759D+01 -0.540804D+00  0.147144D+01
      2   0.589906D+01 -0.487908D+01 -0.234972D+01 -0.163130D+01 -0.787345D+01
      3   0.238531D+01 -0.560696D+00  0.539332D+01 -0.644191D+01  0.424604D+00
                31            32            33            34            35 
      1  -0.246584D+01 -0.626874D+00  0.513548D+01 -0.659560D+01  0.268510D+02
      2  -0.928434D+00 -0.777149D+00 -0.139504D+01 -0.151462D+02  0.589487D+01
      3   0.295659D+01 -0.249864D+01 -0.214279D+00 -0.209448D+00 -0.995247D+00
                36            37            38            39            40 
      1  -0.627074D+00  0.122686D+01  0.216889D+01  0.134514D+01  0.288319D+01
      2   0.427957D+00  0.862482D-01  0.270670D+00  0.420038D+01 -0.370605D-01
      3  -0.241128D+00 -0.385035D+01  0.308097D+01 -0.217194D+00  0.935320D+01
                41            42            43            44            45 
      1   0.704148D+01  0.174375D+01 -0.505628D+01  0.731419D+01 -0.681428D+01
      2   0.386746D+00 -0.224574D+01 -0.527125D+01 -0.988539D+00 -0.170817D+00
      3   0.478416D+01 -0.202224D+01  0.106416D+01 -0.336178D+01  0.204270D+01
                46            47            48            49            50 
      1   0.122832D+01 -0.296527D+01  0.324967D+01 -0.267797D+01  0.650511D+00
      2   0.161542D+01 -0.110058D+01  0.307006D+01 -0.735785D+00  0.185670D+01
      3   0.861131D+00 -0.124527D+01 -0.103081D+01  0.181074D+01  0.370321D+00
                51            52            53            54            55 
      1  -0.332707D+01  0.355181D+01 -0.584414D+01  0.117553D+02 -0.255397D+01
      2  -0.237476D+01  0.518960D+00 -0.542199D+01  0.924441D+01 -0.194792D+01
      3  -0.986487D+00 -0.313301D+01 -0.306246D+01  0.547890D+00 -0.308430D+01
                56            57            58            59            60 
      1   0.472020D+01  0.355122D+01  0.310738D+01 -0.326969D+01 -0.404163D+01
      2   0.261110D+01  0.371891D+01  0.131330D+01 -0.320265D+01 -0.293839D+01
      3  -0.225804D+01  0.124010D+01  0.283808D+01  0.110999D+01  0.384091D+00
                61            62            63            64            65 
      1   0.392701D+01 -0.429691D+01 -0.484091D+01  0.347475D+01 -0.179368D+00
      2   0.156435D+01 -0.420058D+01 -0.387287D+01  0.646726D+00  0.238181D+00
      3   0.299240D+01  0.171686D+01 -0.222459D-01  0.142836D+01 -0.112724D+02
                66            67            68            69            70 
      1  -0.289604D+01  0.869050D+00  0.897135D+00 -0.383563D+01  0.269157D+01
      2   0.125625D+02  0.100171D+01  0.522448D+00  0.401929D+01  0.526165D+01
      3   0.166181D+00 -0.255902D+01 -0.667736D+01  0.338134D+00  0.118637D+01
                71            72            73            74            75 
      1  -0.688489D+01  0.677991D+00  0.104950D+01 -0.913045D+00 -0.470597D+00
      2  -0.127690D+01 -0.554799D+00  0.122275D+01 -0.536774D+00  0.541044D+00
      3   0.119282D+01 -0.803208D+00  0.715306D+00 -0.130529D+01  0.604799D+00
                76            77            78            79            80 
      1   0.146279D+01 -0.608944D+01 -0.576020D+01  0.663323D+00 -0.446741D+01
      2  -0.944787D-01 -0.842117D+00  0.199769D+00 -0.158628D+01 -0.288299D+00
      3   0.442037D+01 -0.265185D-01  0.177743D+00  0.254705D+01  0.297577D+00
                81            82            83            84            85 
      1  -0.406974D+01 -0.931122D+00  0.447099D-01  0.393735D+00  0.171314D-02
      2  -0.306458D-01 -0.252105D+01  0.240294D+00  0.520461D+00  0.306209D+00
      3  -0.364710D+00 -0.152663D+01 -0.160043D+01 -0.874609D+00  0.119467D+01
                86            87            88            89            90 
      1   0.259189D+01 -0.416373D+01  0.410645D+01 -0.501402D+01  0.116206D+02
      2   0.757322D-03  0.273999D+00 -0.174684D+01 -0.676224D+00 -0.267655D+00
      3  -0.820864D+00  0.665424D+00 -0.410615D+01  0.110869D+01 -0.164312D+01
                91            92            93            94            95 
      1   0.139713D+01  0.900760D+00 -0.222753D+01  0.119346D+01  0.277622D+01
      2  -0.961777D+00 -0.119209D+01  0.195808D+01 -0.101060D+01 -0.247783D+01
      3   0.325186D+01 -0.417515D+00 -0.100979D+01  0.459669D+01 -0.832095D+00
                96            97            98            99           100 
      1  -0.410112D+01 -0.160594D+01 -0.127948D+01  0.147850D+01 -0.147164D+01
      2   0.209235D+01  0.131947D+00  0.192883D+01 -0.132867D+01  0.380749D-01
      3   0.178255D+00 -0.271228D+01  0.135227D+01  0.650661D+00  0.271674D+00
               101           102           103           104           105 
      1   0.661678D+00 -0.188869D+01 -0.179331D-01 -0.116687D+01 -0.146995D+01
      2  -0.424498D-01  0.149901D+01 -0.101480D+00 -0.703963D-01  0.746318D-01
      3  -0.149871D+01  0.167381D+01  0.293934D+00  0.109964D+01 -0.391639D+00
               106           107           108           109           110 
      1  -0.272610D+01  0.566639D+00 -0.119356D+02 -0.296916D+00 -0.133273D+01
      2  -0.254967D+01  0.134570D+01  0.490330D+01  0.919474D+01 -0.526628D+00
      3   0.363880D+01 -0.149257D+01  0.169892D+01  0.989496D+01  0.114354D+02
               111           112           113           114           115 
      1  -0.218394D+00 -0.143910D+01  0.250435D+01 -0.467336D+00 -0.210723D+01
      2  -0.673121D+00 -0.382283D+00  0.895931D+01  0.258690D+01 -0.842631D+01
      3  -0.786988D+00  0.215107D+02 -0.770073D+01 -0.838818D+01 -0.336173D+00
               116           117           118           119           120 
      1   0.309218D+01 -0.345935D+01 -0.537310D-02  0.417341D+00  0.273346D+00
      2   0.393674D+01 -0.191554D+02 -0.821033D+00 -0.373840D+00  0.104119D+01
      3  -0.848859D+01 -0.283339D+01  0.899413D+00 -0.430117D+00  0.196754D+00
               121           122           123           124           125 
      1   0.643663D+00 -0.633113D+00 -0.266582D+00 -0.205671D+00  0.357891D+01
      2   0.230231D+00 -0.136389D+01  0.419865D+00 -0.371465D+01  0.462301D+00
      3   0.225601D+01 -0.936654D+00  0.148805D+01 -0.125066D+00  0.172156D+01
               126           127           128           129           130 
      1  -0.107600D+01  0.663668D+00  0.856849D-01  0.298017D+00  0.175982D+00
      2  -0.110528D+02  0.237662D+01 -0.236851D+00  0.194566D+01 -0.145434D+00
      3  -0.474765D+00 -0.520468D+00 -0.166934D+01 -0.307382D+00 -0.128987D+01
               131           132           133           134           135 
      1  -0.156274D-01 -0.102710D+01  0.833127D+00  0.289692D+01  0.426294D+01
      2   0.158173D+01 -0.165609D+01  0.110265D+01 -0.226742D+01  0.226333D+02
      3   0.141189D+01 -0.171513D+01 -0.512938D+00 -0.340495D+01  0.167029D+01
               136           137           138           139           140 
      1   0.596232D-01 -0.321019D-01 -0.608354D+00 -0.257787D-01 -0.448467D+00
      2  -0.355018D+01 -0.162274D+01  0.506085D+01 -0.160180D+01 -0.296531D+01
      3  -0.108088D+02 -0.105063D+02  0.202805D+01 -0.886897D+01 -0.109322D+02
               141           142           143           144           145 
      1  -0.128907D+01  0.565497D+00  0.119093D+01  0.140714D+00 -0.801142D+00
      2   0.420175D+01  0.273594D+01  0.178194D+01 -0.107754D+01 -0.251629D+01
      3   0.318526D+01  0.215366D+01  0.419898D+01 -0.213438D+01  0.310205D+01
               146           147           148           149           150 
      1   0.571747D+00  0.106853D+01  0.727741D+00 -0.139374D+01 -0.376578D+01
      2   0.177542D+01  0.270657D+01  0.151572D+01 -0.525587D+01 -0.559966D+01
      3  -0.689177D+01 -0.115483D+01 -0.579548D+01  0.183911D+02  0.508092D+01
               151           152           153 
      1   0.771297D+00 -0.202095D+00 -0.107780D+01
      2   0.151834D+01 -0.412702D+01 -0.221408D+01
      3  -0.103136D+01  0.636830D+01  0.362299D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.238831D+01  0.698723D+01  0.215419D+01  0.480668D+01 -0.380569D+01
      2  -0.211660D+01 -0.142434D+02  0.185561D+01 -0.126275D+02 -0.544020D+01
      3  -0.271711D+00  0.725614D+01 -0.400980D+01  0.782084D+01  0.924589D+01
      4   0.591688D+00 -0.108988D+02  0.214630D+01 -0.112729D+02 -0.117585D+02
      5   0.276903D+01  0.332383D+01 -0.299159D+01  0.317368D+01  0.463004D+01
      6   0.396334D+01  0.200616D+01 -0.556107D+01  0.309386D+01  0.120230D+02
                 6             7             8             9            10 
      1  -0.344906D+01  0.309154D+01 -0.338445D+01  0.671915D+01 -0.130525D+02
      2   0.910169D+01  0.368100D+01  0.119413D+02  0.255796D+01  0.420429D+01
      3  -0.565263D+01 -0.677254D+01 -0.855687D+01 -0.927711D+01  0.884821D+01
      4   0.500082D+01  0.239557D+01  0.847607D+01 -0.102331D+02  0.712038D+01
      5  -0.210977D+01 -0.340713D+01 -0.511824D+01 -0.107812D+02 -0.755348D+01
      6  -0.183541D+01 -0.756300D+01 -0.476242D+01 -0.169129D+02 -0.136025D+00
                11            12            13            14            15 
      1   0.605821D+01 -0.430394D+01  0.101105D+02  0.115219D+02  0.175736D+01
      2  -0.519842D+00  0.230869D+01 -0.390650D+01 -0.595176D+01 -0.223656D+01
      3  -0.553837D+01  0.199526D+01 -0.620402D+01 -0.557009D+01  0.479202D+00
      4   0.190318D+01  0.145413D+01  0.796018D+01 -0.484357D+01 -0.231747D+01
      5   0.183123D+01 -0.146513D+01  0.111220D+01 -0.287786D+01 -0.148123D+01
      6  -0.523417D+00  0.901671D+00 -0.124704D+01 -0.534290D+00  0.102232D+01
                16            17            18            19            20 
      1  -0.102008D+02  0.215940D+01  0.969069D+01 -0.299420D-01 -0.475076D+01
      2   0.314376D+01 -0.304026D+01  0.105173D+02 -0.188800D+01  0.903767D+01
      3   0.705709D+01  0.880861D+00 -0.202080D+02  0.191794D+01 -0.428692D+01
      4   0.842291D+00 -0.367402D+01 -0.140075D+01  0.428233D+01 -0.150655D+02
      5   0.301819D+01 -0.136879D+01  0.248289D+02  0.334890D+01 -0.489324D+01
      6  -0.208982D+00  0.453282D+01 -0.394712D+00 -0.536762D+01  0.326713D+01
                21            22            23            24            25 
      1   0.250673D+01  0.338375D+01 -0.574650D+01 -0.111454D+01  0.326996D+00
      2   0.231119D+01  0.991722D+00  0.108455D+02 -0.303322D+01  0.323195D+01
      3  -0.481792D+01 -0.437547D+01 -0.509898D+01  0.414776D+01 -0.355894D+01
      4  -0.389102D+01 -0.244486D+01  0.779313D+01  0.197972D+01 -0.618286D+01
      5  -0.775405D+01 -0.454884D+01  0.258520D+01  0.826818D+01 -0.805985D+01
      6   0.894845D+01  0.397161D+01 -0.444728D+01 -0.551673D+01  0.984711D+01
                26            27            28            29            30 
      1  -0.529851D+01  0.795414D+01 -0.404170D+02 -0.992290D+01 -0.124597D+00
      2  -0.318339D+01 -0.425228D+01  0.218768D+02  0.168029D+01 -0.215692D+00
      3   0.848190D+01 -0.370186D+01  0.185402D+02  0.824260D+01  0.340289D+00
      4  -0.381391D+00  0.177418D+02 -0.245831D+02 -0.110508D+02  0.112893D+01
      5   0.126733D+02 -0.740194D+01  0.187158D+01  0.124261D+01 -0.107439D+02
      6  -0.161933D+02  0.129716D+02 -0.102914D+01 -0.622383D+00 -0.337842D+01
                31            32            33            34            35 
      1  -0.164415D+02 -0.526462D+00 -0.363687D-01  0.734273D+00  0.571281D+00
      2   0.106197D+02 -0.463997D+01 -0.408078D+00 -0.998527D+00  0.988022D+00
      3   0.582179D+01  0.516643D+01  0.444447D+00  0.264254D+00 -0.155930D+01
      4  -0.753063D+01  0.932161D+00  0.578805D-01  0.219262D+01  0.776253D+00
      5   0.192356D+01 -0.254690D+00 -0.259205D+01  0.338795D+01 -0.117844D+01
      6  -0.140202D+01  0.207102D+01 -0.391761D+01 -0.105706D+01  0.493563D+01
                36            37            38            39            40 
      1  -0.966860D+01  0.112815D+01  0.566280D+00  0.269295D+01 -0.111904D+02
      2  -0.139387D+01  0.320796D+01 -0.345201D+01 -0.254859D+01  0.576319D+01
      3   0.110625D+02 -0.433611D+01  0.288573D+01 -0.144362D+00  0.542725D+01
      4  -0.373304D+01  0.408777D-01  0.405150D+01 -0.360318D+00 -0.134750D+01
      5   0.165578D+01  0.370811D+00 -0.707674D+00  0.198804D+01 -0.166309D+00
      6  -0.979419D+00  0.163638D+01 -0.296527D+01  0.270958D+00 -0.176429D+01
                41            42            43            44            45 
      1   0.920038D+01  0.132035D+01  0.988751D+01 -0.477653D+00  0.149861D+02
      2  -0.113422D+02 -0.650915D+01 -0.513230D+01 -0.617515D+01 -0.934976D+01
      3   0.214178D+01  0.518880D+01 -0.475521D+01  0.665281D+01 -0.563629D+01
      4  -0.517661D+01 -0.144981D+01  0.234529D+01 -0.172918D+01  0.345538D+01
      5  -0.130873D+01 -0.207903D+01 -0.282123D+01  0.138760D+01 -0.396226D+01
      6  -0.116281D+02 -0.926458D+01  0.549332D+01 -0.165064D+02  0.115501D+02
                46            47            48            49            50 
      1   0.867975D+00  0.373266D+00  0.126885D+01  0.109286D+01 -0.714096D+01
      2  -0.116523D+01 -0.181348D+01 -0.186201D+01 -0.246385D+01  0.764399D+01
      3   0.297260D+00  0.144021D+01  0.593156D+00  0.137099D+01 -0.503028D+00
      4  -0.639859D+01  0.950073D+01 -0.570282D+01  0.568126D+01 -0.827486D+01
      5   0.610280D+01 -0.339416D+01  0.866978D+01 -0.136061D+01  0.442785D+01
      6  -0.501119D+01  0.347552D+01 -0.490157D+01  0.330110D+01 -0.823003D+01
                51            52            53            54            55 
      1   0.519083D+01  0.205976D+01  0.956175D+01 -0.128431D+02  0.827096D+01
      2  -0.449863D+01 -0.329556D+01 -0.564740D+01 -0.224092D+01  0.195273D+00
      3  -0.692201D+00  0.123580D+01 -0.391435D+01  0.150841D+02 -0.846623D+01
      4   0.552788D+01 -0.733519D+01  0.101682D+02 -0.133300D+02 -0.178532D+02
      5  -0.454636D+01  0.949704D+01 -0.968323D+01  0.180602D+02 -0.904555D+01
      6   0.105762D+02 -0.765869D+01  0.167991D+02 -0.239472D+02  0.715787D+01
                56            57            58            59            60 
      1  -0.703388D+00 -0.249021D+01  0.785464D+00 -0.743379D+01 -0.251008D+01
      2  -0.631440D+01 -0.106256D+00 -0.650562D+01  0.154987D+02  0.540469D+01
      3   0.701778D+01  0.259647D+01  0.572015D+01 -0.806490D+01 -0.289461D+01
      4   0.192572D+02  0.783927D+01  0.134082D+02 -0.179448D+02 -0.708143D+01
      5   0.590169D+01  0.821895D+01  0.426188D+01 -0.680354D+01 -0.560660D+01
      6  -0.622825D+01 -0.617119D+01 -0.528351D+01  0.967567D+01  0.889602D+01
                61            62            63            64            65 
      1  -0.263633D+01 -0.372693D+01 -0.437944D+01  0.865936D+02  0.176302D+02
      2   0.118345D+00  0.704713D+01  0.215904D+01 -0.468437D+02 -0.553946D+01
      3   0.251799D+01 -0.332019D+01  0.222040D+01 -0.397499D+02 -0.120907D+02
      4   0.106234D+02 -0.110427D+02 -0.113157D+02  0.377647D+02  0.251334D+02
      5   0.937221D+01 -0.923401D+01 -0.937006D+01 -0.326687D+01 -0.102855D+01
      6  -0.803899D+01  0.130995D+02  0.101476D+02  0.136826D+01  0.405436D+00
                66            67            68            69            70 
      1  -0.141564D+01  0.161985D+02  0.110957D+02  0.204012D+00 -0.183668D+01
      2   0.126602D+01 -0.490034D+01  0.834504D+00 -0.316973D+00  0.195517D+01
      3   0.149612D+00 -0.112982D+02 -0.119302D+02  0.112960D+00 -0.118488D+00
      4  -0.548595D+00  0.297479D+02  0.199197D+02 -0.337751D+00 -0.715171D+00
      5   0.211815D+02 -0.100134D+01 -0.667396D+00  0.645420D+01  0.250553D+02
      6   0.533482D+01  0.477384D+00 -0.940724D+00  0.661526D+01  0.574647D+01
                71            72            73            74            75 
      1   0.136419D+00  0.127292D+02 -0.381961D-01 -0.189631D+01 -0.762259D+00
      2  -0.143970D+00 -0.105315D+02  0.181250D+01  0.328090D+01  0.736315D+00
      3   0.755079D-02 -0.219769D+01 -0.177431D+01 -0.138458D+01  0.259440D-01
      4  -0.301920D+00  0.901613D+01  0.174910D+01  0.890533D+01  0.272746D+01
      5   0.745545D+01 -0.240103D+01  0.708638D+00  0.175724D+01  0.260778D+01
      6   0.719224D+01 -0.473234D-01  0.280220D+01  0.151137D+01  0.485660D+00
                76            77            78            79            80 
      1   0.163875D+01 -0.243696D+02 -0.769933D+01 -0.986680D+00 -0.105596D+02
      2  -0.556080D+00  0.350952D+02  0.986430D+01  0.592672D+00  0.121614D+02
      3  -0.108267D+01 -0.107256D+02 -0.216497D+01  0.394009D+00 -0.160177D+01
      4   0.597151D+01  0.187311D+01  0.912774D+00  0.357637D+01  0.120561D+01
      5   0.135946D+01  0.131231D+01  0.771347D+00  0.222714D+01  0.790705D+00
      6   0.284478D+00  0.162061D+02  0.116414D+02 -0.857976D+00  0.152691D+02
                81            82            83            84            85 
      1  -0.104051D+02 -0.402282D+00 -0.144396D+00 -0.774674D+00  0.223698D+01
      2   0.702545D+01 -0.141583D+01 -0.303553D+00  0.265584D+00 -0.232915D+01
      3   0.337962D+01  0.181811D+01  0.447949D+00  0.509090D+00  0.921704D-01
      4   0.167375D+00 -0.270424D+01  0.352883D+01 -0.358378D+01  0.236735D+01
      5   0.116615D+01  0.742907D+00 -0.200189D+01  0.469846D+01 -0.838173D+00
      6   0.103364D+02 -0.355508D+01  0.100772D+01 -0.169088D+01  0.122093D+01
                86            87            88            89            90 
      1  -0.106493D+02  0.589785D+01 -0.316073D+01  0.108730D+02 -0.187302D+02
      2   0.101651D+02 -0.422837D+01  0.513491D+00 -0.607395D+01  0.136789D+01
      3   0.484218D+00 -0.166949D+01  0.264724D+01 -0.479908D+01  0.173623D+02
      4  -0.184868D+01  0.102983D+01 -0.544198D+01  0.144421D+01 -0.239201D+01
      5   0.102373D+01 -0.394586D-01  0.439589D+01 -0.132818D+01  0.194220D+01
      6  -0.733950D+01  0.100728D+02 -0.426791D+01  0.152558D+02 -0.215423D+02
                91            92            93            94            95 
      1   0.158998D+01 -0.295227D+01 -0.488368D+00 -0.327083D+01 -0.158210D+02
      2   0.610800D+01  0.114605D+02 -0.153476D+01  0.110753D+02  0.336613D+02
      3  -0.769798D+01 -0.850822D+01  0.202313D+01 -0.780450D+01 -0.178403D+02
      4   0.134858D+02  0.171580D+02 -0.403612D+01  0.157667D+02  0.224409D+02
      5  -0.349297D+01 -0.239018D+01  0.366936D+01 -0.221595D+01 -0.422543D+01
      6  -0.412031D+01 -0.350270D+01  0.390640D+01 -0.346852D+01 -0.955603D+01
                96            97            98            99           100 
      1   0.343624D+01 -0.547744D+00  0.601923D+01 -0.461104D+01  0.330863D+00
      2  -0.700991D+01 -0.210430D+01 -0.106760D+02  0.392168D+01 -0.248566D+01
      3   0.357367D+01  0.265204D+01  0.465678D+01  0.689364D+00  0.215479D+01
      4  -0.514283D+01 -0.663058D+01 -0.856610D+01  0.633718D+01  0.272195D+01
      5   0.306489D+01  0.420134D+01  0.449127D+01 -0.283755D+01  0.422066D+01
      6   0.772296D+01  0.543183D+01  0.997418D+01 -0.519191D+01  0.338239D+01
               101           102           103           104           105 
      1  -0.906459D+00  0.542390D+00 -0.189733D+01 -0.340174D+01 -0.307089D+01
      2   0.223119D+01 -0.229926D+01  0.316223D+01  0.276157D+01  0.259028D+01
      3  -0.132473D+01  0.175687D+01 -0.126490D+01  0.640165D+00  0.480612D+00
      4   0.467601D+01  0.347198D+01  0.314912D+01  0.334844D+01  0.169337D+01
      5   0.121318D+01  0.770014D+01 -0.263121D+00  0.143913D+01  0.171307D+00
      6   0.152799D+01  0.321284D+01  0.962415D+00  0.329047D+01  0.658140D+01
               106           107           108           109           110 
      1   0.370409D+00 -0.582579D+01 -0.155571D+02  0.102938D+01 -0.210576D+02
      2  -0.363035D+01  0.292617D+01 -0.817629D+01 -0.177138D+01  0.146571D+02
      3   0.325994D+01  0.289962D+01  0.237334D+02  0.742001D+00  0.640048D+01
      4   0.508497D+01  0.358819D+01  0.764803D+01 -0.207768D+02 -0.215794D+02
      5   0.722652D+01  0.377147D+01  0.131710D+02  0.170261D+02 -0.117161D+01
      6   0.589938D+01  0.100999D+02  0.234062D+02 -0.210708D+01  0.299436D+01
               111           112           113           114           115 
      1   0.123125D+02 -0.268426D+02 -0.204761D+02  0.219625D+01  0.169693D+02
      2  -0.473003D+01  0.193016D+02  0.271420D+01 -0.535244D+01 -0.433941D+01
      3  -0.758244D+01  0.754101D+01  0.177619D+02  0.315618D+01 -0.126299D+02
      4  -0.138453D+01 -0.303589D+02  0.184267D+02  0.164759D+02 -0.187618D+01
      5  -0.372513D+01 -0.121938D+01  0.176746D+02  0.474517D+01 -0.759021D+01
      6   0.643363D+00  0.378949D+01 -0.553842D+01 -0.254453D+01  0.199453D+01
               116           117           118           119           120 
      1   0.139030D+01  0.185238D+01  0.324673D+01 -0.100333D+01 -0.299495D+01
      2  -0.544556D+01  0.543814D+01 -0.539338D+01  0.377914D+00  0.162167D+01
      3   0.405526D+01 -0.729052D+01  0.214665D+01  0.625416D+00  0.137328D+01
      4   0.166943D+02  0.588601D+01 -0.973431D+00  0.173484D+01 -0.561298D-01
      5   0.625898D+01 -0.342166D+02 -0.283205D+01 -0.432608D+00  0.820786D+01
      6  -0.324538D+01  0.734704D+01 -0.162376D+00 -0.167826D+00 -0.948550D-02
               121           122           123           124           125 
      1  -0.548826D+00 -0.503231D+01  0.908364D+00 -0.365390D+01  0.132336D+01
      2   0.196029D-02  0.631551D+00  0.621614D+00  0.450441D+01 -0.592154D-01
      3   0.546865D+00  0.440076D+01 -0.152998D+01 -0.850513D+00 -0.126414D+01
      4   0.159122D+01  0.106062D+01 -0.206544D+01  0.917055D+00 -0.201017D+01
      5  -0.518523D+00 -0.263705D+01  0.123659D+01  0.675304D+01  0.673451D+00
      6  -0.334655D+00 -0.450288D+00  0.789141D+01 -0.445991D-01  0.430584D+01
               126           127           128           129           130 
      1  -0.205407D+02  0.245798D+01  0.130099D+01  0.516608D+01  0.209540D+01
      2  -0.189414D+02 -0.343635D+01 -0.809649D+00 -0.354191D+01 -0.175163D+01
      3   0.394821D+02  0.978372D+00 -0.491337D+00 -0.162417D+01 -0.343770D+00
      4   0.139950D+01  0.953444D+00  0.328236D+01 -0.144522D+01  0.622409D+01
      5  -0.231864D+02  0.467064D+01 -0.802441D+00  0.742577D+01 -0.795741D+00
      6   0.199272D-01 -0.124552D+01 -0.496200D+00 -0.672404D+00  0.701533D+00
               131           132           133           134           135 
      1   0.108947D+01  0.577323D+00  0.107753D+02  0.231598D+00 -0.556235D+01
      2  -0.214327D+00 -0.105099D+00 -0.903761D+01  0.179384D+00 -0.137849D+02
      3  -0.875144D+00 -0.472225D+00 -0.173772D+01 -0.410982D+00  0.193472D+02
      4  -0.390413D+01  0.325961D+01 -0.364169D+01  0.591834D+01 -0.436961D+01
      5   0.311907D+01 -0.319497D+01  0.149831D+02 -0.475643D+01  0.427470D+02
      6  -0.124623D+01  0.564757D+01 -0.231963D+01  0.600602D+01 -0.980855D+01
               136           137           138           139           140 
      1   0.489321D+02  0.189493D+02 -0.805287D+01  0.304780D+02  0.154619D+02
      2  -0.256914D+02 -0.102338D+02  0.458071D+01 -0.155376D+02 -0.459019D+01
      3  -0.232407D+02 -0.871548D+01  0.347216D+01 -0.149404D+02 -0.108717D+02
      4   0.183770D+02  0.172498D+02 -0.308500D+01  0.221271D+02  0.193919D+02
      5  -0.911585D+01 -0.338506D+01  0.935968D+01 -0.455009D+01 -0.608829D+01
      6  -0.255565D+00 -0.822366D-01  0.316526D+00 -0.834687D+00 -0.362341D+00
               141           142           143           144           145 
      1  -0.353320D+01 -0.127810D+02 -0.318596D+01  0.597594D+01  0.146312D+02
      2   0.247298D+01  0.732440D+01  0.264689D+01 -0.541864D+01 -0.396085D+01
      3   0.106022D+01  0.545658D+01  0.539076D+00 -0.557301D+00 -0.106703D+02
      4  -0.603233D+01 -0.395762D+01 -0.728108D+01  0.414605D+01 -0.136172D+02
      5   0.749919D+01  0.115175D+02  0.481237D+01 -0.375376D+01 -0.619044D+01
      6   0.226198D+01  0.125475D+01  0.273483D+01 -0.192937D+01  0.267947D+01
               146           147           148           149           150 
      1  -0.828716D+01 -0.478961D+01 -0.127559D+02  0.502944D+01  0.248941D+00
      2   0.383576D+00  0.166945D+01 -0.965227D-01  0.143365D+02  0.299475D+01
      3   0.790358D+01  0.312016D+01  0.128524D+02 -0.193660D+02 -0.324369D+01
      4   0.187204D+02  0.483938D+01  0.271057D+02 -0.412547D+02 -0.111758D+02
      5   0.445153D+01  0.559825D+01  0.564729D+01 -0.113489D+02 -0.105614D+02
      6  -0.160741D+01 -0.163567D+01 -0.313317D+01  0.652084D+01  0.679520D+01
               151           152           153 
      1  -0.863451D+01  0.516598D+00  0.626224D+00
      2   0.324958D+01  0.287869D+01 -0.661768D+00
      3   0.538493D+01 -0.339529D+01  0.355440D-01
      4   0.780372D+01 -0.132845D+02 -0.902331D+01
      5   0.838871D+01 -0.946662D+01 -0.532566D+01
      6  -0.346985D+01  0.700971D+01  0.448877D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.116988D+01      0.297354D+01      0.991865D+01
   y          0.447327D+00      0.113699D+01      0.379260D+01
   z         -0.797473D-01     -0.202697D+00     -0.676126D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.820999D+02      0.121659D+02      0.135364D+02
   yx        -0.197655D+00     -0.292895D-01     -0.325889D-01
   yy         0.714870D+02      0.105933D+02      0.117866D+02
   zx         0.218277D+00      0.323453D-01      0.359890D-01
   zy        -0.409232D+00     -0.606419D-01     -0.674732D-01
   zz         0.584646D+02      0.866355D+01      0.963950D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.757661D+02      0.112274D+02      0.124921D+02
   aniso      0.221372D+02      0.328040D+01      0.364994D+01
   xx         0.881455D+02      0.130618D+02      0.145332D+02
   yx         0.180690D+00      0.267755D-01      0.297918D-01
   yy         0.765071D+02      0.113372D+02      0.126143D+02
   zx         0.334910D+00      0.496285D-01      0.552192D-01
   zy        -0.486096D+00     -0.720320D-01     -0.801464D-01
   zz         0.626458D+02      0.928314D+01      0.103289D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.07672834          1.57418556          1.82045665
     6          0.85782536         -0.60445233          1.88289168
     6         -0.82951146          2.68637749         -0.83724603
     6         -0.03734411          0.46082802         -2.49496395
     6          0.65280731         -1.74334559         -0.77375511
     1          0.69430021          4.08359179         -0.92942323
     1         -2.52308751          3.58878178         -1.58320327
     8          0.03084971          0.45457363         -4.76872348
     1          2.33496657         -2.71940700         -1.45007782
     1         -0.91586683         -3.09600251         -0.85827625
     1         -0.75526009          2.95042638          3.31939032
     1         -2.97577969          0.80081344          2.09156224
     6          0.45362206         -2.47435882          4.02665890
     1          2.74314012          0.23178300          2.07673504
     1         -1.40925412         -3.35575470          3.88178154
     1          0.56905560         -1.53916833          5.86303876
     1          1.86695971         -3.97707855          3.99398833

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.125502D+01      0.318995D+01      0.106405D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.599368D+02      0.888172D+01      0.988225D+01
   yx        -0.429091D+01     -0.635847D+00     -0.707475D+00
   yy         0.715971D+02      0.106096D+02      0.118048D+02
   zx        -0.615036D-01     -0.911389D-02     -0.101406D-01
   zy        -0.393226D+01     -0.582701D+00     -0.648343D+00
   zz         0.805175D+02      0.119315D+02      0.132755D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.757661D+02      0.112274D+02      0.124921D+02
   aniso      0.221372D+02      0.328040D+01      0.364994D+01
   xx         0.641474D+02      0.950567D+01      0.105765D+02
   yx        -0.443690D+01     -0.657480D+00     -0.731545D+00
   yy         0.764846D+02      0.113338D+02      0.126106D+02
   zx        -0.235732D+00     -0.349318D-01     -0.388669D-01
   zy        -0.405557D+01     -0.600973D+00     -0.668672D+00
   zz         0.866664D+02      0.128426D+02      0.142894D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-29\Freq\RM11\Gen\C6H10O1\PIERPA\08-Jul-2021\0\\#P M11
 /Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Re
 ad Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.561346,1.265532,
 0.172998\C,1.075011,-0.082384,-0.37245\C,-0.949016,1.226539,-0.069358\
 C,-1.318654,-0.252798,0.015396\C,-0.029451,-1.06589,0.032823\H,-1.1986
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 THE BEST WAY TO CONVINCE A FOOL THAT HE IS WRONG 
 IS TO LET HIM HAVE HIS OWN WAY.

                                         JOSH BILLINGS
 Job cpu time:       0 days  4 hours  2 minutes 36.4 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 12.0 seconds.
 File lengths (MBytes):  RWF=    222 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 20:10:00 2021.
